P00489	CHEMBL1738938	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2cc(O)c(Cl)cc2O	169900	nM
P00489	CHEMBL593692	OC[C@H]1O[C@@H](NC(=O)c2cc(Br)c3OCCOc3c2)[C@H](O)[C@@H](O)[C@@H]1O	670000	nM
P00489	CHEMBL1277690	CC[C@H]1O[C@@H](NC(=S)N\N=C\c2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	484200	nM
P00489	CHEMBL1277691	CC[C@H]1O[C@@H](NC(=S)N\N=C\c2ccccc2Cl)[C@H](O)[C@@H](O)[C@@H]1O	370000	nM
P00489	CHEMBL1277413	CC[C@H]1O[C@@H](NC(=S)N\N=C\c2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O	93200	nM
P00489	CHEMBL610629	OC[C@H]1O[C@@H](NC(=O)C2=COc3ccccc3O2)[C@H](O)[C@@H](O)[C@@H]1O	125000	nM
P00489	CHEMBL601011	COC(=O)c1cn(nn1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O	500000	nM
P00489	CHEMBL559671	Cc1ccc(cc1)c2onc(n2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O	350000	nM
P00489	CHEMBL564662	Clc1ccc(CNC(=O)CN2C=CC=C(NC(=O)c3ccccc3)C2=O)cc1Cl	162000	nM
P00489	CHEMBL600407	OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)n2cc(CO)nn2	670000	nM
P00489	CHEMBL550162	CCCNC1=CC=CN(CC(=O)NCc2ccccc2)C1=O	343000	nM
P00489	CHEMBL240926	Fc1ccccc1N2CCN(CC(=O)Nc3cccc(c3)C(F)(F)F)CC2	78500	nM
P00489	CHEMBL251308	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O	103000	nM
P00489	CHEMBL392671	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCc6ccccc6	107900	nM
P00489	CHEMBL392671	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCc6ccccc6	107151.93	nM
P00489	CHEMBL397365	CCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O)C(C)(C)[C@H]1OC(=O)CC	74131.02	nM
P00489	CHEMBL397365	CCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O)C(C)(C)[C@H]1OC(=O)CC	73700	nM
P00489	CHEMBL372991	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCCCN6CCCCC6	580000	nM
P00489	CHEMBL410525	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	131825.67	nM
P00489	CHEMBL410525	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	131000	nM
P00489	CHEMBL209010	CNCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC2	53200	nM
P00489	CHEMBL379848	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC\C(=N/O)\C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)O	225000	nM
P00489	CHEMBL202392	CCN(CC)CCCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	61659.5	nM
P00489	CHEMBL202392	CCN(CC)CCCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	62000	nM
P00489	CHEMBL202392	CCN(CC)CCCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	62000	nM
P00489	CHEMBL487933	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O	81283.05	nM
P00489	CHEMBL487933	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O	82000	nM
P00489	CHEMBL487933	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O	82000	nM
P00489	CHEMBL555132	OC[C@H]1O[C@]2(ON=C(S2)c3ccc(cc3)c4ccccc4)[C@H](O)[C@@H](O)[C@@H]1O	250000	nM
P00489	CHEMBL566036	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NCC(=O)N[C@@H](Cc6ccccc6)C(=O)O	129000	nM
P00489	CHEMBL568655	CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(COC(=O)C)CC[C@@]34C)C(=C)C)OC(=O)C	143000	nM
P00489	CHEMBL561980	OC[C@H]1O[C@@H](S\C(=N/O)\c2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	10000000	nM
P00489	CHEMBL483538	OC(=O)c1ccc2CCCC3(O)N(Cc4ccccc4)C(=O)c1c23	1200000	nM
P00489	CHEMBL521471	OC(=O)c1ccc2CCC=C3N(C(=O)c1c23)c4ccccc4	800000	nM
P00489	CHEMBL611030	OC[C@H]1O[C@@H](NC(=O)c2ccc3OCCOc3c2)[C@H](O)[C@@H](O)[C@@H]1O	630000	nM
P00489	CHEMBL594194	COc1cc(cc2OCCOc12)C(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O	580000	nM
P00489	CHEMBL593790	OC[C@H]1OC2(NC(O)CNC2=O)[C@H](O)[C@@H](O)[C@@H]1O	59800	nM
P00489	CHEMBL602485	NC(=O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)n2cc(nn2)c3ccc4ccccc4c3	780000	nM
P00489	CHEMBL484712	OC(=O)c1ccc2CCC=C3N(Cc4ccccc4)C(=O)c1c23	1100000	nM
P00489	CHEMBL204906	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCO	151356.12	nM
P00489	CHEMBL204906	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCO	153000	nM
P00489	CHEMBL204906	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCO	153000	nM
P00489	CHEMBL510111	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O	293000	nM
P00489	CHEMBL237535	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	213000	nM
P00489	CHEMBL391534	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	162181.01	nM
P00489	CHEMBL391534	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	163000	nM
P00489	CHEMBL391534	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	116000	nM
P00489	CHEMBL208753	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)OCC(=O)O	62600	nM
P00489	CHEMBL483729	OC(=O)c1ccc2CCCC(=O)c2c1C(=O)NCc3ccccc3	11700000	nM
P00489	CHEMBL439220	CCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O)C(C)(C)[C@H]1O	77624.71	nM
P00489	CHEMBL439220	CCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O)C(C)(C)[C@H]1O	77900	nM
P00489	CHEMBL397935	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H]6O[C@@H]6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCc7ccccc7	69183.1	nM
P00489	CHEMBL397935	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H]6O[C@@H]6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCc7ccccc7	69500	nM
P00489	CHEMBL383749	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	144543.98	nM
P00489	CHEMBL383749	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	144000	nM
P00489	CHEMBL383749	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	144000	nM
P00489	CHEMBL383749	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	144000	nM
P00489	CHEMBL202346	COC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	393000	nM
P00489	CHEMBL380025	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C\C(=N/OCc6ccccc6)\C(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)OCc7ccccc7	61300	nM
P00489	CHEMBL600203	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n2cc(Cc3ccccc3)nn2	600000	nM
P00489	CHEMBL202579	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCBr	50118.72	nM
P00489	CHEMBL567732	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCCBr	289000	nM
P00489	CHEMBL567035	CC(=O)NCCCCCCN(CCOC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)[C@@](C)(COC(=O)C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C)C(=O)C	96600	nM
P00489	CHEMBL568431	CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O)[C@@](C)(COC(=O)CCC(=O)O)[C@@H]5CC[C@@]34C)[C@@H]12	97800	nM
P00489	CHEMBL1277414	CC[C@H]1O[C@@H](NC(=S)N\N=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	340500	nM
P00489	CHEMBL1277415	CC[C@H]1O[C@@H](NC(=S)N\N=C\c2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O	406500	nM
P00489	CHEMBL1077649	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)CC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCc6ccccc6	55800	nM
P00489	CHEMBL1277506	CC[C@H]1O[C@@H](NC(=S)N\N=C\c2ccncc2)[C@H](O)[C@@H](O)[C@@H]1O	200000	nM
P00489	CHEMBL601423	[Na+].OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)n2cc(nn2)C(=O)[O-]	400000	nM
P00489	CHEMBL487887	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	57543.99	nM
P00489	CHEMBL487887	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	57000	nM
P00489	CHEMBL487887	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	57000	nM
P00489	CHEMBL235877	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O	106000	nM
P00489	CHEMBL379817	CCOC(=O)CCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC2	76700	nM
P00489	CHEMBL597136	NOC(=O)c1cn(nn1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O	350000	nM
P00489	CHEMBL1233215	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2cc(O)ccc2O	977000	nM
P00489	CHEMBL595335	OC[C@H]1O[C@@H](NC(=O)[C@H]2COc3ccccc3O2)[C@H](O)[C@@H](O)[C@@H]1O	320000	nM
P00489	CHEMBL550449	CCCNC1=CC=CN(CC(=O)NCc2ccc(Cl)c(Cl)c2)C1=O	1770000	nM
P00489	CHEMBL441687	CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(=O)O	822000	nM
P00489	CHEMBL1277600	CC[C@H]1O[C@@H](NC(=S)N\N=C\c2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O	180000	nM
P00489	CHEMBL1738941	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2cc(O)c(Br)cc2O	136400	nM
P00489	CHEMBL1644817	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)C(C)(C)[C@@H](O)[C@H]5C(=O)O)[C@@H]12)C(=O)O	194100	nM
P00489	CHEMBL559988	O=C(CN1C=CC=C(NCc2ccccc2)C1=O)NC3CCN(Cc4ccccc4)CC3	813000	nM
P00489	CHEMBL558244	COc1ccccc1CNC(=O)CN2C=CC=C(NCc3ccccc3)C2=O	308000	nM
P00489	CHEMBL230006	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O	66000	nM
P00489	CHEMBL277157	O=C(CN1CCN(CC1)c2ccccc2)Nc3nccs3	96900	nM
P00489	CHEMBL549434	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2onc(n2)c3ccc(cc3)[N+](=O)[O-]	650000	nM
P00489	CHEMBL464466	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	102329.3	nM
P00489	CHEMBL464466	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	103200	nM
P00489	CHEMBL373064	CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)OCc6ccccc6)C(C)(C)[C@H]1O	80000	nM
P00489	CHEMBL204023	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCC(=O)O	1651000	nM
P00489	CHEMBL594395	OC[C@H]1O[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)[C@H](O)[C@@H](O)[C@@H]1O	300000	nM
P00489	CHEMBL1078845	CCC(=O)O[C@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)O)[C@@]2(C)C1	80200	nM
P00489	CHEMBL383016	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C\C(=N/O)\[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)OCc6ccccc6	179100	nM
P00489	CHEMBL567333	CCN(CC)CCCNC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)[C@@](C)(COC(=O)C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C	72800	nM
P00489	CHEMBL483926	CCCCCSC(=O)c1c(ccc2CCCC(=O)c12)C(=O)O	1300000	nM
P00489	CHEMBL203410	CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)OCc6ccccc6)C(C)(C)[C@@H]1O	63000	nM
P00489	CHEMBL1077650	CCC(=O)O[C@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)OCc6ccccc6)[C@@]2(C)C1	121300	nM
P00489	CHEMBL1277599	CC[C@H]1O[C@@H](NC(=S)N\N=C\c2cccc(Br)c2)[C@H](O)[C@@H](O)[C@@H]1O	50400	nM
P00489	CHEMBL566180	CCCCCCOC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C	69100	nM
P00489	CHEMBL569936	CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)OCC#CCOC(=O)CCC(=O)O)C(=C)C)OC(=O)C	94500	nM
P00489	CHEMBL568187	COC(=O)CNC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)[C@@](C)(COC(=O)C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C	103000	nM
P00489	CHEMBL537942	Cc1ccc(cc1)C(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O	4500000	nM
P00489	CHEMBL1644924	COC(=O)[C@@H]1[C@H](OC(=O)C)C(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)C=O)C(=C)C)[C@@]12C	53800	nM
P00489	CHEMBL1077651	CCCC(=O)O[C@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)OCc6ccccc6)[C@@]2(C)C1	107900	nM
P00489	CHEMBL1077652	CCCC(=O)O[C@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)O)[C@@]2(C)C1	75600	nM
P00489	CHEMBL206898	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)Cc6nonc6C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)OCc7ccccc7	1002000	nM
P00489	CHEMBL569935	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OC6CCCCC6	50400	nM
P00489	CHEMBL567088	CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)OCCCCCCOC(=O)c6ccccc6C(=O)O)C(=C)C)OC(=O)C	69200	nM
P00489	CHEMBL567250	CCN(CC)CCCCCCNC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)[C@@](C)(COC(=O)C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C	55600	nM
P00489	CHEMBL570172	CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)NCCCCCCNC(=O)CCC(=O)O)C(=C)C)OC(=O)C	194000	nM
P00489	CHEMBL568204	CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)NCCCCCCNC(=O)\C=C\C(=O)O)C(=C)C)OC(=O)C	54800	nM
P00489	CHEMBL238185	CCCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	82500	nM
P00489	CHEMBL238185	CCCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	83176.38	nM
P00489	CHEMBL238186	CCCCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	91201.08	nM
P00489	CHEMBL238186	CCCCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	92100	nM
P00489	CHEMBL236932	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCn6cccn6	61659.5	nM
P00489	CHEMBL236932	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCn6cccn6	62100	nM
P00489	CHEMBL236943	CCOC(=O)COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	102329.3	nM
P00489	CHEMBL236943	CCOC(=O)COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	102000	nM
P00489	CHEMBL236090	CCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O)C(C)(C)[C@H]1OC(=O)CCC	78700	nM
P00489	CHEMBL236090	CCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O)C(C)(C)[C@H]1OC(=O)CCC	79432.82	nM
P00489	CHEMBL557649	COc1ccc(cc1)c2onc(n2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O	550000	nM
P00489	CHEMBL437113	CCN(CC)CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	51000	nM
P00489	CHEMBL437113	CCN(CC)CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	51286.14	nM
P00489	CHEMBL437113	CCN(CC)CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	51000	nM
P00489	CHEMBL202750	CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)OCc6ccccc6)C(C)(C)[C@H]1O	1707000	nM
P00489	CHEMBL380974	CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)OCc6ccccc6)C(C)(C)[C@@H]1O	580000	nM
P00489	CHEMBL563048	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2onc(n2)c3ccc4OCOc4c3	625000	nM
P00489	CHEMBL595273	COc1cccc(NC(=O)c2cccc(c2)C(=O)Nc3cccc(OC)c3)c1	77400	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	229000	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	648000	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	83100	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	75300	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	100000	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	75300	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	75300	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	283000	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	74900	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	114000	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	114000	nM
P00489	CHEMBL113	CN1C(=O)N(C)c2ncn(C)c2C1=O	114000	nM
P00489	CHEMBL383274	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)OCc6ccccc6	461000	nM
P00489	CHEMBL210763	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)OCc6ccccc6	66600	nM
P00489	CHEMBL600202	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n2cc(nn2)c3cccc4ccccc34	625000	nM
P00489	CHEMBL445145	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCCCN6CCOCC6	121000	nM
P00489	CHEMBL445145	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCCCN6CCOCC6	120226.44	nM
P00489	CHEMBL445145	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCCCCN6CCOCC6	121000	nM
P00489	CHEMBL372990	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc6ccccc6	66069.34	nM
P00489	CHEMBL372990	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc6ccccc6	66000	nM
P00489	CHEMBL372990	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc6ccccc6	66000	nM
P00489	CHEMBL202456	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCn6cccn6	66000	nM
P00489	CHEMBL202456	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCn6cccn6	66069.34	nM
P00489	CHEMBL202456	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCn6cccn6	66000	nM
P00489	CHEMBL1077655	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](CC(C)(C)[C@@H]5CC[C@@]34C)OC(=O)CCC(=O)O)[C@@H]2C1)C(=O)OCc6ccccc6	80900	nM
P00489	CHEMBL550995	OC[C@@H](NC(=O)CN1C=CC=C(NCc2ccccc2)C1=O)c3ccccc3	120400	nM
P00489	CHEMBL550996	CC(=O)NC1=CC=CN(CC(=O)NCc2ccc(Cl)c(Cl)c2)C1=O	372000	nM
P00489	CHEMBL511063	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O	97000	nM
P00489	CHEMBL1277504	CC[C@H]1O[C@@H](NC(=S)N\N=C\c2ccc(C)cc2)[C@H](O)[C@@H](O)[C@@H]1O	192400	nM
P00489	CHEMBL1277505	CC[C@H]1O[C@@H](NC(=S)N\N=C\c2ccc(cc2)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O	524300	nM
P00489	CHEMBL1738939	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2cc(O)cc(Cl)c2O	95000	nM
P00489	CHEMBL541234	OC[C@H]1O[C@]2(ON=C(S2)c3ccc(cc3)C#N)[C@H](O)[C@@H](O)[C@@H]1O	700000	nM
P00489	CHEMBL539984	OC[C@H]1O[C@]2(ON=C(S2)c3ccc(cc3)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	250000	nM
P00489	CHEMBL570698	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCC#CCO	194000	nM
P00489	CHEMBL568395	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NCC(=O)O	67700	nM
P00489	CHEMBL1797431	CCn1cc2C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OCc7ccccc7)C(C)(C)c2n1	64565.42	nM
P00489	CHEMBL1797431	CCn1cc2C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OCc7ccccc7)C(C)(C)c2n1	64600	nM
P00489	CHEMBL1797303	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCCN6CCOCC6	173780.08	nM
P00489	CHEMBL1797303	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCCN6CCOCC6	173000	nM
P00489	CHEMBL1797437	CC(=O)n1cc2C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)O)C(C)(C)c2n1	53800	nM
P00489	CHEMBL1797437	CC(=O)n1cc2C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)O)C(C)(C)c2n1	53703.18	nM
P00489	CHEMBL1797429	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCc7ccccc7	72900	nM
P00489	CHEMBL1797429	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCc7ccccc7	72443.6	nM
P00489	CHEMBL1797026	CNCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	53200	nM
P00489	CHEMBL1797026	CNCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	53703.18	nM
P00489	CHEMBL1797435	CCOC(=O)Cn1cc2C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OCc7ccccc7)C(C)(C)c2n1	112201.85	nM
P00489	CHEMBL1797435	CCOC(=O)Cn1cc2C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OCc7ccccc7)C(C)(C)c2n1	111000	nM
P00489	CHEMBL1797316	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=N/OCc6ccccc6)\C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc7ccccc7	61300	nM
P00489	CHEMBL1797316	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=N/OCc6ccccc6)\C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc7ccccc7	61659.5	nM
P00489	CHEMBL1797309	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc6ccccc6	52480.75	nM
P00489	CHEMBL1797309	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc6ccccc6	52900	nM
P00489	CHEMBL1797314	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=N/O)\C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCc6ccccc6	83176.38	nM
P00489	CHEMBL1797314	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=N/O)\C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCc6ccccc6	82900	nM
P00489	CHEMBL1797024	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCC(=O)O	63095.73	nM
P00489	CHEMBL1797024	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCC(=O)O	62600	nM
P00489	CHEMBL1797420	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnn(c7ccc(Cl)cc7)c6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	241700	nM
P00489	CHEMBL1797420	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnn(c7ccc(Cl)cc7)c6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	239883.29	nM
P00489	CHEMBL1797422	CC(C)c1ccc(cc1)n2ncc3C[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)O)C(C)(C)c23	69600	nM
P00489	CHEMBL1797422	CC(C)c1ccc(cc1)n2ncc3C[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)O)C(C)(C)c23	69183.1	nM
P00489	CHEMBL1797141	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	53500	nM
P00489	CHEMBL1797141	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	53703.18	nM
P00489	CHEMBL1797308	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	67800	nM
P00489	CHEMBL1797308	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	67608.3	nM
P00489	CHEMBL1797025	CCOC(=O)CCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	75857.76	nM
P00489	CHEMBL1797025	CCOC(=O)CCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2	76700	nM
P00489	CHEMBL1797137	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCC(=O)O	188000	nM
P00489	CHEMBL1797137	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCC(=O)O	186208.71	nM
P00489	CHEMBL1797430	Cn1cc2C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OCc7ccccc7)C(C)(C)c2n1	188000	nM
P00489	CHEMBL1797430	Cn1cc2C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OCc7ccccc7)C(C)(C)c2n1	186208.71	nM
P00489	CHEMBL1797434	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn(Cc7ccccc7)nc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc8ccccc8	126000	nM
P00489	CHEMBL1797434	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn(Cc7ccccc7)nc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc8ccccc8	125892.54	nM
P00489	CHEMBL1797301	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OC6CC6	91200	nM
P00489	CHEMBL1797301	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OC6CC6	91201.08	nM
P00489	CHEMBL1797321	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nonc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	66300	nM
P00489	CHEMBL1797321	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nonc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O	66069.34	nM
P00489	CHEMBL1797423	Cc1ccc(cc1)n2ncc3C[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)OCc8ccccc8)C(C)(C)c23	106000	nM
P00489	CHEMBL1797423	Cc1ccc(cc1)n2ncc3C[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)OCc8ccccc8)C(C)(C)c23	107151.93	nM
P00489	CHEMBL1870825	CC1(C)CNC(=NC1)c2ccccc2	1200000	nM
P00489	CHEMBL1797436	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn(Cc7ccc(Cl)cc7Cl)nc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc8ccccc8	179400	nM
P00489	CHEMBL1797436	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn(Cc7ccc(Cl)cc7Cl)nc6C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc8ccccc8	177827.94	nM
P00489	CHEMBL1797311	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=N/O)\[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc6ccccc6	179000	nM
P00489	CHEMBL1797311	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=N/O)\[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc6ccccc6	177827.94	nM
P00489	CHEMBL1797142	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC\C(=N/O)\C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	223872.11	nM
P00489	CHEMBL1797142	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC\C(=N/O)\C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	225000	nM
P00489	CHEMBL1797302	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCCN6CCCCC6	131825.67	nM
P00489	CHEMBL1797302	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCCN6CCCCC6	132000	nM
P00489	CHEMBL1941004	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)COCCOCCNC(=O)c6ccc(cc6)C(=O)c7ccc(NC(=O)CN=[N+]=[N-])cc7)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	114900	nM
P00489	CHEMBL2041077	CCCCCC#CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)NC1=O	6100000	nM
P00489	CHEMBL3323444	CC(C)N1CCCN=C1c2ccccc2	7200000	nM
P00489	CHEMBL3323438	C1CN=C(O1)c2ccccc2	23900000	nM
P00489	CHEMBL3323443	CC(C)(C)OC(=O)N1CCCN=C1c2ccccc2	1100000	nM
P00489	CHEMBL3323440	C1CCN=C(OC1)c2ccccc2	1400000	nM
P00489	CHEMBL3323445	C1CCN=C(NC1)c2ccccc2	3000000	nM
P00489	CHEMBL3323450	CC(C)CC(N)C(=O)N1CCOCC1	6500000	nM
P00489	CHEMBL3323446	C1CCC2N=C(NC2C1)c3ccccc3	7800000	nM
P00489	CHEMBL3770237	Clc1ccc(CCNC(=O)CN2C=CC=C(NCCCc3ccccc3)C2=O)cc1Cl	68000	nM
P00489	CHEMBL3769992	Clc1ccc(NC(=O)CN2C=CC=C(NCc3ccccc3Cl)C2=O)cc1Cl	57000	nM
P00489	CHEMBL3764911	COc1cc(OC)cc(c1)C2=NO[C@@]3(C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O	324700	nM
P00489	CHEMBL3764195	OC[C@H]1O[C@@]2(CC(=NO2)c3cc4ccccc4c5ccccc35)[C@H](O)[C@@H](O)[C@@H]1O	80500	nM
P00489	CHEMBL3763929	OC[C@H]1O[C@@]2(CC(=NO2)c3ccc4OCOc4c3)[C@H](O)[C@@H](O)[C@@H]1O	81300	nM
P00489	CHEMBL3764673	OC[C@H]1O[C@@]2(CC(=NO2)c3cc4ccccc4[nH]3)[C@H](O)[C@@H](O)[C@@H]1O	280000	nM
P00489	CHEMBL3764090	OC[C@H]1O[C@@]2(CC(=NO2)c3c[nH]c4ccccc34)[C@H](O)[C@@H](O)[C@@H]1O	800000	nM
P31749	CHEMBL517956	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P31749	CHEMBL231257	C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)O	229000	nM
P31749	CHEMBL246537	CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc3cccc4ccccc34	89000	nM
P31749	CHEMBL518060	CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P31749	CHEMBL394715	C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)[C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc3ccccc3)C(=O)O	500000	nM
P31749	CHEMBL391793	CCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c2ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)cc2)C(C)C	163000	nM
P31749	CHEMBL370199	COC(=O)C(=O)Nc1c(sc2[nH]nc(C)c12)C(=O)N	100000	nM
P31749	CHEMBL362455	CC(C)(N)c1ccc(cc1)c2nc3ccccc3nc2c4ccccc4	250000	nM
P31749	CHEMBL606964	COc1ccc(cc1)N2Cc3cnc(Nc4ccc(F)cc4)nc3N([C@@H]5CC[C@@H](O)C5)C2=O	125000	nM
P31749	CHEMBL199759	Cc1n[nH]c2sc(C(=O)N)c(NC(=O)COc3ccccc3)c12	100000	nM
P31749	CHEMBL391820	C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)O	500000	nM
P31749	CHEMBL437750	C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc4ccccc4)C(=O)O	500000	nM
P31749	CHEMBL391132	CC(C)[C@H](NC(=O)c1ccc(cc1)N(CC(=O)NC(C)(C)C)C(=O)CCCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc3ccccc3	58000	nM
P31749	CHEMBL456936	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P31749	CHEMBL44	Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O	70000	nM
P31749	CHEMBL245933	CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc3ccccc3	239000	nM
P31749	CHEMBL396589	CCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c2ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)cc2)C(C)C	52000	nM
P31749	CHEMBL246327	CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc3ccc4ccccc4c3	51000	nM
P31749	CHEMBL396530	CC(C)[C@H](NC(=O)c1ccc(NC(=O)CCCCNC(=N)N)cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc3ccccc3	193000	nM
P31749	CHEMBL269244	CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O	445000	nM
P31749	CHEMBL396644	CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)cc1)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4ccccc4	79000	nM
P31749	CHEMBL394041	CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC(=O)C)cc1)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4ccccc4	500000	nM
P31749	CHEMBL393645	CC(C)[C@H](NC(=O)c1ccc(NC(=N)N)cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc3ccccc3	77000	nM
P31749	CHEMBL199658	Cc1n[nH]c2sc(C(=O)N)c(NC(=O)c3ccc(Cl)cc3)c12	100000	nM
P31749	CHEMBL201511	COc1cc(cc(OC)c1OC)C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34	100000	nM
P31749	CHEMBL373882	CNc1ncnc(n1)c2cccnc2Oc3ccc(F)c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F	100000	nM
P31749	CHEMBL34704	N\C(=C(\C#N)/C(=C(\N)/Sc1ccccc1N)/C#N)\Sc2ccccc2N	60000	nM
P31749	CHEMBL515982	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P31749	CHEMBL245987	CC(C)[C@H](NC(=O)c1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc3ccccc3	500000	nM
P31749	CHEMBL248369	CC(C)[C@H](NC(=O)c1ccc(CCNC(=N)N)cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc3ccccc3	120000	nM
P31749	CHEMBL200348	COC(=O)c1cc2c(CN3CCCCC3)n[nH]c2s1	100000	nM
P31749	CHEMBL246137	CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc3ccccc3	438000	nM
P31749	CHEMBL397075	CCCCCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c3ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)cc3)C(C)C)cc1	96000	nM
P31749	CHEMBL395678	CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)cc1)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc4cccc(NC(=O)C)c4	322000	nM
P31749	CHEMBL464351	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P31749	CHEMBL437388	C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)O	241000	nM
P31749	CHEMBL269433	CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)cc1)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCc4cccc5ccccc45	62000	nM
P31749	CHEMBL437188	CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)cc1)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN4CCC(Cc5ccccc5)CC4	94000	nM
P31749	CHEMBL394250	CCCCCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c3ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)cc3)C(C)C)cc1	104000	nM
P31749	CHEMBL245659	CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc3ccccc3	119000	nM
P31749	CHEMBL200586	COC(=O)c1cc2c(C)n[nH]c2s1	100000	nM
P31749	CHEMBL371695	Cc1n[nH]c2sc(C(=O)N)c(NC(=O)c3ccccc3Cl)c12	100000	nM
P31749	CHEMBL246330	CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)cc1)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN4CCCCC4	500000	nM
P31749	CHEMBL199657	Cc1n[nH]c2sc(C(=O)N)c(NC(=O)c3cccc(Cl)c3)c12	100000	nM
P31749	CHEMBL245918	C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O	409000	nM
P31749	CHEMBL245587	CC(C)[C@H](NC(=O)c1ccc(NCCNC(=N)N)cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc3ccccc3	390000	nM
P31749	CHEMBL456294	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P31749	CHEMBL1922225	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P31749	CHEMBL1922224	CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C	100000	nM
P31749	CHEMBL2338335	CN1C[C@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
P31749	CHEMBL2338334	CN1C[C@@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
P31749	CHEMBL3109401	CC(C)CCNC1=CC(=O)C(=C(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)C1=O)O	73200	nM
P31749	CHEMBL3109402	COc1cc2nc(C)oc2c(C[C@]3(C)[C@@H](C)CC[C@]4(C)[C@H]3CCC=C4C)c1O	100000	nM
P31749	CHEMBL3358446	CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	100000	nM
P31749	CHEMBL3358966	COc1cc(cc(OC)c1OC)C2=NC(=CNC2=O)c3c[nH]c4ccccc34	100000	nM
P31749	CHEMBL3298513	CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCI	100000	nM
P31749	CHEMBL3298928	CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)C=C	100000	nM
P31749	CHEMBL3298610	CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)CCl	100000	nM
P31749	CHEMBL3298515	CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCl	100000	nM
P31749	CHEMBL3298514	CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCBr	100000	nM
P31749	CHEMBL3679723	CN1c2ccccc2c3nnc(c4ccc5ccccc5c4)n3c6ccccc16	67000	nM
P31749	CHEMBL3684519	CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c2ccc(cc2)c3nnc4c5ccccc5Nc6ncccc6n34	56000	nM
P31749	CHEMBL3684520	NC1CCN(CC1)C(=O)c2ccc(cc2)c3nnc4c5ccccc5Nc6ncccc6n34	70000	nM
P31749	CHEMBL3759201	Cc1ccc(cc1)c2ncc(OCC3CCNCC3)cc2c4ccc(cc4)C#N	87600	nM
P08069	CHEMBL228043	C\C(=C(/C#N)\C(=O)Nc1cc(Br)ccc1Br)\O	500000	nM
P08069	CHEMBL515982	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P08069	CHEMBL43689	Oc1ccc(\C=C(/C#N)\c2ccccn2)cc1	72800	nM
P08069	CHEMBL464351	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P08069	CHEMBL456294	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P08069	CHEMBL1762344	C[C@@H]1N(Cc2cc[n+]([O-])cc2)C(=O)N(C1=O)c3ccc(cc3)S(=O)(=O)C(F)(F)F	100000	nM
P08069	CHEMBL1762181	C[C@@H]1N(Cc2cccnc2)C(=O)N(C1=O)c3ccc(cc3)S(=O)(=O)C(F)(F)F	79700	nM
P08069	CHEMBL1762182	C[C@@H]1N(Cc2ccccn2)C(=O)N(C1=O)c3ccc(cc3)S(=O)(=O)C(F)(F)F	100000	nM
P08069	CHEMBL1762345	C[C@@H]1N(Cc2cc[n+]([O-])c3ccccc23)C(=O)N(C1=O)c4ccc(cc4)S(=O)(=O)C(F)(F)F	100000	nM
P08069	CHEMBL1762151	C[C@@H]1N(Cc2ccnc3ccccc23)C(=O)N(C1=O)c4ccc(cc4)S(=O)(=O)C	100000	nM
P08069	CHEMBL1762340	C[C@@H]1N(Cc2cncc3ccccc23)C(=O)N(C1=O)c4ccc(cc4)S(=O)(=O)C(F)(F)F	100000	nM
P08069	CHEMBL1762341	C[C@@H]1N(Cc2c[nH]cn2)C(=O)N(C1=O)c3ccc(cc3)S(=O)(=O)C(F)(F)F	100000	nM
P08069	CHEMBL1762342	C[C@@H]1N(CC2CCNCC2)C(=O)N(C1=O)c3ccc(cc3)S(=O)(=O)C(F)(F)F	100000	nM
P08069	CHEMBL1762343	C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c3ccc(cc3)S(=O)(=O)C(F)(F)F	100000	nM
P08069	CHEMBL2088258	COCCCc1cc(Nc2ccnc(NCc3onc(c3)C(=O)N)n2)n[nH]1	100000	nM
P08069	CHEMBL2088106	Cc1cc(Nc2nc(NCc3ncccc3C)ncc2Br)n[nH]1	50118.72	nM
P08069	CHEMBL2088259	COc1cc(CCc2cc(Nc3ccnc(NCc4ccccn4)n3)n[nH]2)cc(OC)c1	79432.82	nM
P08069	CHEMBL2147259	CNC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccc(cc4)C(O)P(=O)(O)O)NC(=O)[C@H](Cc5cccnc5)NC(=O)C	94000	nM
P08069	CHEMBL2147367	CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccc(cc4)C(O)P(=O)(O)O)NC(=O)[C@H](Cc5cccnc5)NC(=O)C	78200	nM
P08069	CHEMBL2147262	CNC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(cc3)C(O)P(=O)(O)O)NC(=O)[C@H](Cc4cccnc4)NC(=O)C	489000	nM
P08069	CHEMBL2147366	CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccc(cc4)C(O)P(=O)(O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C	51300	nM
P08069	CHEMBL3353411	COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3c[nH]c4ccccc34	263000	nM
P08069	CHEMBL3361128	Oc1ccc(\C=C/2\Oc3ccccc3C2=O)cc1O	100000	nM
P08069	CHEMBL3358966	COc1cc(cc(OC)c1OC)C2=NC(=CNC2=O)c3c[nH]c4ccccc34	100000	nM
P08069	CHEMBL3353410	COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34	2900000	nM
P08069	CHEMBL3421979	Cc1nccc(n1)c2c[nH]c3cnccc23	100000	nM
P08069	CHEMBL3421975	CS(=O)(=O)c1ccc(cc1)c2nccc(n2)c3c[nH]c4cnccc34	100000	nM
P08069	CHEMBL3421980	Cc1nccc(n1)c2cn(Cc3ccccc3)c4cnccc24	100000	nM
P08069	CHEMBL3421974	O=C(NC1CCCC1)c2ccc(cc2)c3nccc(n3)c4c[nH]c5cnccc45	67727	nM
P08069	CHEMBL3353409	COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2ncc(C)c(n2)c3cn(C)c4ccccc34	196000	nM
P08069	CHEMBL3421962	CN1CCN(CC1)c2ccc(Nc3cc(ncn3)c4c[nH]c5cnccc45)cc2	100000	nM
P08069	CHEMBL3421965	COc1cc(ccc1Nc2cc(ncn2)c3cn(C)c4cnccc34)N5CCN(CC5)C(=O)C	100000	nM
P04058	CHEMBL686	Cc1cccc(Nc2ccccc2C(=O)O)c1C	1250000	nM
P04058	CHEMBL422098	C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)C)N(C)C	69900	nM
P04058	CHEMBL462795	CC(=C)[C@@H]1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12	200000	nM
P04058	CHEMBL343365	C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C	78200	nM
P04058	CHEMBL453326	CN1C=C2C(=O)c3nccc4c5ccc(Br)cc5nc(C2=CC1=O)c34	300000	nM
P04058	CHEMBL413039	C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(=O)C)[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C	227900	nM
P04058	CHEMBL541613	Cl.C(CN1CCc2ccccc2C1)Nc3ccc(nn3)c4ccccc4	83000	nM
P04058	CHEMBL544887	Cl.C(CN1CCOCC1)Nc2ccc(nn2)c3ccccc3	800000	nM
P04058	CHEMBL539062	Cl.C(N1CCC(CC1)Nc2ccc(nn2)c3ccccc3)c4ccccc4	65000	nM
P04058	CHEMBL539319	Cl.CCN1CCCC1CNc2ccc(nn2)c3ccccc3	62000	nM
P04058	CHEMBL148907	[Cl-].C[N+]1(C)CCO[C@H](O)C1	1760000	nM
P04058	CHEMBL556144	Cl.C(CNc1ccc(nn1)c2ccccc2)CN3CCOCC3	410000	nM
P04058	CHEMBL118539	[Cl-].C[N+](C)(C)CCCl	2390000	nM
P04058	CHEMBL357451	[Br-].C[N+](C)(C)CCCCBr	597000	nM
P04058	CHEMBL356328	[Br-].C[N+](C)(C)CC=C	2920000	nM
P04058	CHEMBL356969	[Br-].C[N+]1(C)CCO[C@](O)(C1)C(F)(F)F	3830000	nM
P04058	CHEMBL538062	Cl.CN(CCNc1ccc(nn1)c2ccccc2)Cc3ccccc3	170000	nM
P04058	CHEMBL538098	Cl.C(CN1CCCCC1)Nc2ccc(nn2)c3ccccc3	71000	nM
P04058	CHEMBL145957	[Br-].C[N+](C)(C)CCCBr	87900	nM
P04058	CHEMBL145973	[Br-].CC(C)(C)[C@@]1(O)C[N+](C)(C)CCO1	3710000	nM
P04058	CHEMBL148369	[I-].CCOCC[N+](C)(C)C	1160000	nM
P04058	CHEMBL147699	[I-].C[N+](C)(C)CCS	440000	nM
P04058	CHEMBL148484	[I-].C[N+](C)(C)c1cccc(c1)[N+](=O)[O-]	628000	nM
P04058	CHEMBL148531	[I-].C[N+](C)(C)CCCCI	471000	nM
P04058	CHEMBL150104	[I-].CCSCC[N+](C)(C)C	1510000	nM
P04058	CHEMBL150123	[Br-].C[N+](C)(C)CCCCCBr	534000	nM
P04058	CHEMBL343054	C\C=C(/C)\C(=O)N[C@H]1[C@@H](O)C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC=C34)[C@H](C)N(C)C)[C@H]1OC(=O)C	61300	nM
P04058	CHEMBL421920	C\C=C(/C)\C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@H]2[C@H]1OC(=O)C)[C@H](C)N(C)C	182400	nM
P04058	CHEMBL147346	CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C(=O)C)[C@@]4(C)CC[C@H]23)C1	204200	nM
P04058	CHEMBL293410	[I-].C[N+](C)(C)CCO	3010000	nM
P04058	CHEMBL359415	CC(C)\C(=C\C(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1)\C	50600	nM
P04058	CHEMBL146080	C\C=C(/C)\C(=O)N[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC=C4[C@H](C)N(C)C)[C@@]2(C)C[C@H]1O	185200	nM
P04058	CHEMBL538603	Cl.CN1[C@@H]2[C@@](C)(CC[N+]2(C)[O-])c3cc(OC(=O)Nc4c(C)cccc4C)ccc13	186000	nM
P04058	CHEMBL439814	[Br-].C[N+]1(C)CCO[C@](O)(C1)c2ccc(cc2)[N+](=O)[O-]	5120000	nM
P04058	CHEMBL146674	[Br-].C[C@@]1(O)C[N+](C)(C)CCO1	1730000	nM
P04058	CHEMBL146205	[Br-].C[N+]1(C)CCO[C@](O)(C1)c2ccc(Cl)cc2	8130000	nM
P04058	CHEMBL146494	[Br-].C[N+](C)(C)CCC=C	848000	nM
P04058	CHEMBL147334	Br.[Br-].C[N+](C)(C)c1cccc(N)c1	192000	nM
P04058	CHEMBL147380	[I-].CCCC(=O)OCC[N+](C)(C)C	229000	nM
P04058	CHEMBL148939	[Br-].C[N+]1(C)CCO[C@](O)(C1)c2ccc(N)cc2	691000	nM
P04058	CHEMBL148522	Br.CN(C)CCCC=C	1130000	nM
P04058	CHEMBL148530	[I-].CCCC(=O)SCC[N+](C)(C)C	126000	nM
P04058	CHEMBL150054	[I-].CCCCCC[N+](C)(C)C	816000	nM
P04058	CHEMBL150001	[I-].CC(=O)CCC[N+](C)(C)C	84800	nM
P04058	CHEMBL342537	[Br-].CC(=O)Nc1cccc(c1)[N+](C)(C)C	1000000	nM
P04058	CHEMBL342564	[Br-].C[N+]1(C)CCO[C@](O)(C1)c2ccc(cc2)C#N	11600000	nM
P04058	CHEMBL356982	[Br-].CC(=O)Nc1ccc(cc1)[C@@]2(O)C[N+](C)(C)CCO2	2070000	nM
P04058	CHEMBL215645	CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C.OC(C(O)C(=O)O)C(=O)O	187200	nM
P04058	CHEMBL3288076	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)[C@@H](O)C[C@@]34C)C(=C)CO	200000	nM
P04058	CHEMBL3288082	[Na+].[Na+].CC(C)[C@@H]1CC[C@]2(C)[C@H](C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)[O-])C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)OS(=O)(=O)[O-]	58800	nM
P04058	CHEMBL3288077	CC(C)[C@@H]1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12	200000	nM
P04058	CHEMBL3288081	[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)[C@H](C[C@@]34C)OS(=O)(=O)[O-])C(=C)CO)OS(=O)(=O)[O-]	200000	nM
P04058	CHEMBL3288078	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)[C@@H](O)C[C@@]34C)[C@@]6(C)CO6	200000	nM
P04058	CHEMBL3288083	[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)[C@H](C[C@@]34C)OS(=O)(=O)[O-])[C@@]6(C)CO6)OS(=O)(=O)[O-]	200000	nM
P04058	CHEMBL3288092	CC(=C)[C@@H]1CC[C@]2(C)[C@H](C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCC(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)OC(=O)CCCCC(=O)O	200000	nM
P04058	CHEMBL3288075	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)[C@@H](O)C[C@@]34C)C(=C)C=O	200000	nM
P04058	CHEMBL3288094	CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)C(=O)C[C@@]34C)C(=C)C=O)[C@@]2(C)CCC1=O	200000	nM
P04058	CHEMBL3288074	[Na+].[Na+].CC(=C)[C@@H]1CC[C@]2(C)[C@H](C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)[O-])C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)OS(=O)(=O)[O-]	190000	nM
P04058	CHEMBL3288080	[Na+].[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)[C@H](C[C@@]34C)OS(=O)(=O)[O-])C(=C)COS(=O)(=O)[O-])OS(=O)(=O)[O-]	200000	nM
P04058	CHEMBL3604338	COc1cc(Br)c2CN(CC[C@@]34C=C[C@@H](O)C[C@@H]3Oc1c24)C(=S)NCC=C	51000	nM
P04058	CHEMBL3604340	COc1ccc2CN(CCN3CCOCC3)CC[C@@]45C=C[C@@H](O)C[C@@H]4Oc1c25	84000	nM
P04058	CHEMBL3604358	COc1ccc2CN(CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24)C(=O)CCl	51000	nM
P07900	CHEMBL1505517	Cc1cc(C(=O)CN2N=C(C(=O)O)c3ccccc3C2=O)c(C)n1CC(F)(F)F	60000	nM
P07900	CHEMBL1369231	CCN(CC)c1ccc2C=C(NC(=O)CCC(=O)O)C(=O)Oc2c1	60000	nM
P07900	CHEMBL190439	Nc1ncnc2c1nc(Sc3ccccc3Cl)n2CCCC#C	100000	nM
P07900	CHEMBL371372	Nc1ncnc2c1nc(Sc3ccccc3OC(F)(F)F)n2CCCC#C	100000	nM
P07900	CHEMBL370286	COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)cc1	100000	nM
P07900	CHEMBL424824	Cc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1	300000	nM
P07900	CHEMBL364456	Nc1ncnc2c1nc(Sc3cc(ccc3Cl)C(F)(F)F)n2CCCC#C	100000	nM
P07900	CHEMBL195096	Cc1cc(C)cc(Sc2nc3c(N)ncnc3n2CCCC#C)c1	300000	nM
P07900	CHEMBL14830	Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O	59308	nM
P07900	CHEMBL365118	Nc1ncnc2c1nc(Sc3ccc(Cl)cc3Cl)n2CCCC#C	300000	nM
P07900	CHEMBL190438	Nc1ncnc2c1nc(Sc3ccccc3CO)n2CCCC#C	100000	nM
P07900	CHEMBL426086	Nc1ncnc2c1nc(Sc3ccc(Cl)cc3)n2CCCC#C	100000	nM
P07900	CHEMBL192480	Nc1ncnc2c1nc(Sc3cc(Cl)c(Cl)cc3Cl)n2CCCC#C	200000	nM
P07900	CHEMBL1491705	OC(=O)CSCC(=O)Nc1ccc(cc1)C2CCCCC2	60000	nM
P07900	CHEMBL193892	COc1ccccc1Sc2nc3c(N)ncnc3n2CCCC#C	100000	nM
P07900	CHEMBL364239	Cc1ccc(C)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1	300000	nM
P07900	CHEMBL192013	Nc1ncnc2c1nc(Sc3cc(Cl)cc(Cl)c3)n2CCCC#C	500000	nM
P07900	CHEMBL14249	Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O	861330	nM
P07900	CHEMBL364450	Nc1ncnc2c1nc(Sc3cc(Cl)ccc3Cl)n2CCCC#C	60400	nM
P07900	CHEMBL1457822	COC(=O)c1oc(NC(=O)c2ccc(C)cc2)cc1	60000	nM
P07900	CHEMBL1831190	CCc1cc([C@@H]2CC(=O)N2c3ccc(OC)cc3)c(O)cc1O	200000	nM
P07900	CHEMBL1831189	Oc1ccc([C@@H]2CC(=O)N2c3ccc4OCCOc4c3)c(O)c1	200000	nM
P07900	CHEMBL1831187	COc1ccc(OC)c(c1)[C@@H]2CC(=O)N2c3ccc4OCCOc4c3	200000	nM
P07900	CHEMBL1831192	CCc1cc([C@@H]2CC(=O)N2c3cc(OC)c(OC)c(OC)c3)c(O)cc1O	200000	nM
P07900	CHEMBL1831193	CCc1cc([C@@H]2[C@H](C(=O)N2c3ccc4OCCOc4c3)c5ccccc5)c(O)cc1O	200000	nM
P07900	CHEMBL1831188	COc1ccc([C@@H]2CC(=O)N2c3ccc4OCCOc4c3)c(OC)c1	200000	nM
P07900	CHEMBL1831191	CCc1cc([C@@H]2CC(=O)N2c3ccc4OCOc4c3)c(O)cc1O	200000	nM
P07900	CHEMBL3234416	COCC(=O)Nc1c(C(=O)OC)n(CCC(C)C)c2ncc(NC(C)CCC=C(C)C)cc12	308500	nM
P07900	CHEMBL3233482	COC(=O)c1noc2CCN(Cc12)C(=O)C	100000	nM
P07900	CHEMBL3233489	CCNC(=O)c1noc2CCN(Cc12)C(=O)Nc3cc(Cl)c(O)cc3O	100000	nM
P07900	CHEMBL3233490	CCNC(=O)c1noc2CCN(Cc12)C(=O)Nc3cc(C(C)C)c(O)cc3O	100000	nM
P07900	CHEMBL3426763	Nc1ncnc2c1nc(C(=O)c3ccc(Cl)cc3Cl)n2CCCC#C	100000	nM
P07900	CHEMBL3426755	CCCC(C)n1c(Sc2ccc(Cl)cc2Cl)nc3c(N)ncnc13	100000	nM
P07900	CHEMBL3426775	Cc1cc(C)cc(Sc2nc3c(N)ncn(CCCC#N)c3n2)c1	100000	nM
P07900	CHEMBL3426779	CC(C)NCCCn1cnc(N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12	100000	nM
P07900	CHEMBL3426761	Nc1ncnc2c1nc(Oc3ccc(Cl)cc3Cl)n2CCCC#C	100000	nM
P07900	CHEMBL3426765	COc1ccccc1Sc2nc3c(N)ncn(CCCC#N)c3n2	100000	nM
P07900	CHEMBL3426770	COc1ccc(Sc2nc3c(N)ncn(CCCC#N)c3n2)c(OC)c1	100000	nM
P07900	CHEMBL3426745	Nc1ncnc2c1nc(Sc3cc(Cl)cc(Cl)c3)n2CCCC(F)(F)F	100000	nM
P07900	CHEMBL3426778	CC(C)NCCCn1cnc(N)c2nc(Sc3ccc(C)cc3C)nc12	100000	nM
P07900	CHEMBL3426740	Cc1cc(C)c(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1	500000	nM
P07900	CHEMBL3426766	Nc1ncn(CCCC#N)c2nc(Sc3ccccc3CO)nc12	100000	nM
P07900	CHEMBL3426767	Nc1ncn(CCCC#N)c2nc(Sc3ccccc3OC(F)(F)F)nc12	100000	nM
P07900	CHEMBL3426734	Nc1ncnc2c1nc(Sc3cc(Cl)cc(Br)c3)n2CCCC#C	100000	nM
P07900	CHEMBL3426771	Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)ccc3Cl)nc12	100000	nM
P07900	CHEMBL3426743	CC#CCn1c(Sc2cc(Cl)cc(Cl)c2)nc3c(N)ncnc13	100000	nM
P07900	CHEMBL3426762	Nc1ncnc2c1nc(Cc3ccc(Cl)cc3Cl)n2CCCC#C	100000	nM
P07900	CHEMBL3426764	Nc1ncn(CCCC#N)c2nc(Sc3ccccc3Cl)nc12	100000	nM
P07900	CHEMBL3426746	Nc1ncnc2c1nc(Sc3cc(Cl)cc(Cl)c3)n2CCCCC(F)(F)F	100000	nM
P07900	CHEMBL3426768	Nc1ncn(CCCC#N)c2nc(Sc3ccc(Cl)cc3Cl)nc12	500000	nM
P07900	CHEMBL3426777	Cc1cc(C)c(Sc2nc3c(N)ncn(CCCC#N)c3n2)c(C)c1	100000	nM
P07900	CHEMBL3426776	Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)c(Cl)cc3Cl)nc12	100000	nM
P07900	CHEMBL3426769	Cc1ccc(Sc2nc3c(N)ncn(CCCC#N)c3n2)c(C)c1	250000	nM
P07900	CHEMBL3426753	CCC(CC#C)n1c(Sc2cc(Cl)cc(Cl)c2)nc3c(N)ncnc13	100000	nM
P07900	CHEMBL3426772	Cc1ccc(C)c(Sc2nc3c(N)ncn(CCCC#N)c3n2)c1	100000	nM
P07900	CHEMBL3426773	Nc1ncn(CCCC#N)c2nc(Sc3cc(ccc3Cl)C(F)(F)F)nc12	100000	nM
P07900	CHEMBL3426774	Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12	100000	nM
P07900	CHEMBL3661200	NC(=O)c1ccc(c(Cl)c1)n2ccc3ccccc23	100000	nM
P07900	CHEMBL3653960	NC(=O)c1ccc(cc1NC2CCC(O)CC2)c3cccc4c(nccc34)c5cnc6ccccc6c5	100000	nM
P07900	CHEMBL3653961	NC(=O)c1ccc(cc1NC2CCC(O)CC2)c3cccc4c(ncnc34)c5cnc6ccccc6c5	100000	nM
P07900	CHEMBL3653962	CCNc1cc(ccc1C(=O)N)c2cccc3c(nccc23)n4cnc(c4)c5cnn(C)c5	100000	nM
P07900	CHEMBL3661195	COc1ccc2ccn(c3ccc(C(=O)N)c(NC4CCC(O)CC4)c3)c2c1	100000	nM
P07900	CHEMBL3661196	COc1cccc2c1ccn2c3ccc(C(=O)N)c(NC4CCC(O)CC4)c3	100000	nM
P07900	CHEMBL3661199	COc1ccc2c(cc(C)n2c3ccc(C(=O)N)c(NC4CCC(O)CC4)c3)c1	100000	nM
Q02127	CHEMBL452392	Cc1cc(Nc2ccc(Cl)c(c2)C(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL447995	Cc1cc(Nc2ccc(C)c(C)c2)n3ncnc3n1	100000	nM
Q02127	CHEMBL586157	Cc1cc(Nc2ccc3CCCc3c2)n4ncnc4n1	100000	nM
Q02127	CHEMBL375815	Cc1cccc2c(C(=O)O)c(O)c(nc12)c3ccc(Cl)cc3	212000	nM
Q02127	CHEMBL384543	OC(=O)c1c(O)c(nc2c(Cl)cccc12)c3ccc(Cl)cc3	141000	nM
Q02127	CHEMBL384039	OC(=O)c1c(O)c(nc2c(Br)cccc12)c3ccc(Cl)cc3	132000	nM
Q02127	CHEMBL374432	Cc1ccc2c(C(=O)O)c(O)c(nc2c1C)c3ccc(Br)cc3	56000	nM
Q02127	CHEMBL503135	Cc1cc(Nc2cnc3ccccc3c2)n4ncnc4n1	200000	nM
Q02127	CHEMBL475814	Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n5ncnc5n1	200000	nM
Q02127	CHEMBL219856	CCOC(=O)C(=CNc1ccc(C)cc1)C(=O)OCC	145700	nM
Q02127	CHEMBL387288	OC(=O)c1c(O)c(nc2ccc(cc12)c3ccsc3)c4ccc(Cl)cc4	134000	nM
Q02127	CHEMBL218780	CC(C)c1cccc2c(C(=O)O)c(O)c(nc12)c3ccc(Cl)cc3	283000	nM
Q02127	CHEMBL218727	CCC(C)c1cccc2c(C(=O)O)c(O)c(nc12)c3ccc(Cl)cc3	301000	nM
Q02127	CHEMBL267210	Cc1ccc2c(C(=O)O)c(O)c(nc2c1C)c3ccc(Cl)cc3	72000	nM
Q02127	CHEMBL452465	Cc1cc(Nc2ccc(Cl)cc2)n3ncnc3n1	100000	nM
Q02127	CHEMBL486490	CN(c1ccc2ccccc2c1)c3cc(C)nc4ncnn34	200000	nM
Q02127	CHEMBL486697	Cc1cc(N(Cc2ccccc2)c3ccc4ccccc4c3)n5ncnc5n1	200000	nM
Q02127	CHEMBL446825	Cc1cc(Nc2ccccc2)n3ncnc3n1	200000	nM
Q02127	CHEMBL13380	Cc1cc(Nc2ccc(Br)c(c2)C(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL199575	CN(C(=O)c1ccc2ccccc2c1)c3ccccc3C(=O)O	200000	nM
Q02127	CHEMBL492529	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL492529	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL373493	CCOC(=O)C(=CNc1ccc(cc1)c2ccccc2)C(=O)OCC	500000	nM
Q02127	CHEMBL387254	CCOC(=O)\C(=C/Nc1cccc(c1)c2ccccc2)\C#N	219800	nM
Q02127	CHEMBL219364	OC(=O)c1c(O)c(nc2c(cccc12)C(F)(F)F)c3ccc(Cl)cc3	136000	nM
Q02127	CHEMBL217919	Cc1cccc2nc(c(O)c(C(=O)O)c12)c3ccc(Cl)cc3	51000	nM
Q02127	CHEMBL384983	OC(=O)c1c(O)c(nc2ccc(cc12)c3ccccc3)c4ccc(Cl)cc4	230000	nM
Q02127	CHEMBL216706	OC(=O)c1ccc(cc1)c2ccc3nc(c(O)c(C(=O)O)c3c2)c4ccc(Cl)cc4	135000	nM
Q02127	CHEMBL475813	Cc1cc(Nc2ccc3ccccc3c2)n4ncnc4n1	200000	nM
Q02127	CHEMBL475813	Cc1cc(Nc2ccc3ccccc3c2)n4ncnc4n1	200000	nM
Q02127	CHEMBL582694	CN(C)c1ccc(Nc2cc(C)nc3ncnn23)cc1	100000	nM
Q02127	CHEMBL484294	CCc1cc(Nc2ccc3ccccc3c2)n4ncnc4n1	200000	nM
Q02127	CHEMBL492720	Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL449358	Cc1cc(Nc2cccc3ccccc23)n4ncnc4n1	200000	nM
Q02127	CHEMBL487518	Cc1cc(Nc2cc3ccccc3cc2O)n4ncnc4n1	200000	nM
Q02127	CHEMBL217951	Cc1cc(Br)ccc1NC(=O)c2ccc3ccccc3c2	415400	nM
Q02127	CHEMBL219855	CCOC(=O)C(=CNc1ccc2[nH]cnc2c1)C(=O)OCC	500000	nM
Q02127	CHEMBL1714424	CCc1ccc(Nc2cc(C)nc3ncnn23)cc1	100000	nM
Q02127	CHEMBL1738786	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3nc(nc3n1)C(C)(F)F	100000	nM
Q02127	CHEMBL1738786	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3nc(nc3n1)C(C)(F)F	100000	nM
Q02127	CHEMBL1738786	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3nc(nc3n1)C(C)(F)F	100000	nM
Q02127	CHEMBL519836	FC(F)(F)c1cc(Nc2ccc3ccccc3c2)n4ncnc4n1	200000	nM
Q02127	CHEMBL218083	OC(=O)c1c(O)c(nc2c(OC(F)(F)F)cccc12)c3ccc(Cl)cc3	130000	nM
Q02127	CHEMBL385893	COc1cccc2c(C(=O)O)c(O)c(nc12)c3ccc(Cl)cc3	306000	nM
Q02127	CHEMBL219233	COc1ccc2c(C(=O)O)c(O)c(nc2c1)c3ccc(Cl)cc3	151000	nM
Q02127	CHEMBL372561	CN(C(=O)c1ccc2cc(Br)ccc2c1)c3ccccc3C(=O)O	200000	nM
Q02127	CHEMBL486489	Cc1nc2ncnn2c(Nc3ccc4ccccc4c3)c1C	200000	nM
Q02127	CHEMBL492520	Cc1cc(Nc2ccc(Br)cc2)n3ncnc3n1	100000	nM
Q02127	CHEMBL492530	Cc1cc(Nc2ccc(OC(F)(F)F)cc2)n3ncnc3n1	100000	nM
Q02127	CHEMBL484602	C\C(=C(/C#N)\C(=O)Nc1ccc(cc1C(F)(F)F)c2cccc(Cl)c2)\O	86600	nM
Q02127	CHEMBL451880	Cc1cc(Nc2ccc3ncccc3c2)n4ncnc4n1	200000	nM
Q02127	CHEMBL600255	CC(C)c1ccc(Nc2cc(C)nc3ncnn23)cc1	100000	nM
Q02127	CHEMBL437480	Cc1cc(Nc2ccc(C)c(c2)C(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL218703	CCOC(=O)\C(=C/Nc1ccc2c(c1)c3ccccc3n2CC)\C#N	491400	nM
Q02127	CHEMBL435137	CCOC(=O)C(=CNc1ccc2[nH]ncc2c1)C(=O)OCC	123300	nM
Q02127	CHEMBL413583	CCOC(=O)C(=CNc1ccccc1C)C(=O)OCC	292200	nM
Q02127	CHEMBL492719	Cc1cc(Nc2ccc(C)c(F)c2)n3ncnc3n1	100000	nM
Q02127	CHEMBL374338	CCOC(=O)\C(=C/Nc1ccc(cc1)c2ccccc2)\C#N	500000	nM
Q02127	CHEMBL217897	CCOC(=O)C(=CNc1cccc(c1)c2ccccc2)C(=O)OCC	104200	nM
Q02127	CHEMBL217893	Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(Cl)cc(Cl)c2	524400	nM
Q02127	CHEMBL135703	Cc1cc(O)n2nc(SCc3ccccc3)nc2n1	89000	nM
Q02127	CHEMBL499296	Cc1cc(Nc2cccc(Cl)c2)n3ncnc3n1	100000	nM
Q02127	CHEMBL199572	CN(C(=O)c1ccc(cc1)c2ccccc2)c3ccccc3C(=O)O	200000	nM
Q02127	CHEMBL484305	CC1=CC(=O)c2ccc(Nc3cc(C)nc4ncnn34)cc2O1	200000	nM
Q02127	CHEMBL487517	Cc1cc(Nc2ccc(cc2)C(=O)N)n3ncnc3n1	200000	nM
Q02127	CHEMBL1784563	Cc1cc(Nc2ccc(C=C)cc2)n3ncnc3n1	100000	nM
Q02127	CHEMBL1784564	Cc1cc(Nc2ccc(cc2)C#C)n3ncnc3n1	100000	nM
Q02127	CHEMBL1784562	Cc1cc(Nc2ccc(cc2)C3CC3)n4ncnc4n1	100000	nM
Q02127	CHEMBL1784712	FC(F)(F)c1ccc(Nc2cc(nc3ncnn23)C(F)(F)F)cc1	100000	nM
Q02127	CHEMBL1784579	Cc1cc(Nc2ccc3OCOc3c2)n4ncnc4n1	100000	nM
Q02127	CHEMBL1784578	Cc1cc(Nc2ccc3CCCCc3c2)n4ncnc4n1	100000	nM
Q02127	CHEMBL1784715	CCc1c(C)nc2ncnn2c1Nc3ccc(OC(F)(F)F)cc3	100000	nM
Q02127	CHEMBL1784557	CCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1	100000	nM
Q02127	CHEMBL1784561	Cc1cc(Nc2ccc(cc2)C(C)(C)C)n3ncnc3n1	100000	nM
Q02127	CHEMBL1784713	FC(F)(F)c1ccc(Nc2cc(Cl)nc3ncnn23)cc1	100000	nM
Q02127	CHEMBL1784555	CCCc1ccc(Nc2cc(C)nc3ncnn23)cc1	100000	nM
Q02127	CHEMBL1784714	CCc1c(C)nc2ncnn2c1Nc3ccc(cc3)C(C)C	100000	nM
Q02127	CHEMBL1784556	CCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1	100000	nM
Q02127	CHEMBL1784716	CCCc1c(C)nc2ncnn2c1Nc3ccc(C)cc3	100000	nM
Q02127	CHEMBL1784576	Cc1cc(Nc2ccc(c(c2)C(F)(F)F)C(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL1784711	CCc1cc(Nc2ccc(cc2)C(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL1784717	Cc1ccc(Nc2c3CCCc3nc4ncnn24)cc1F	100000	nM
Q02127	CHEMBL1784577	Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL1784567	Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL1956276	Cc1cc(Nc2ccc(Cl)cc2)n3nc(nc3n1)C4CC4	100000	nM
Q02127	CHEMBL1956278	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3nc(nc3n1)C4CC4	100000	nM
Q02127	CHEMBL1956279	Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n3nc(nc3n1)C4CC4	100000	nM
Q02127	CHEMBL1956283	Cc1cc(Nc2ccc(Cl)cc2)n3nc(nc3n1)C(C)(F)F	100000	nM
Q02127	CHEMBL1956287	CCC(F)(F)c1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1	100000	nM
Q02127	CHEMBL1956273	Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n3nc(nc3n1)C(C)(C)C	100000	nM
Q02127	CHEMBL1956289	CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1	100000	nM
Q02127	CHEMBL1956470	CCOc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1	100000	nM
Q02127	CHEMBL1956472	CCOc1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1	100000	nM
Q02127	CHEMBL1956265	CCc1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1	100000	nM
Q02127	CHEMBL1956269	CC(C)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1	100000	nM
Q02127	CHEMBL1956274	CCC(C)c1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1	100000	nM
Q02127	CHEMBL1956288	CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1	100000	nM
Q02127	CHEMBL1956272	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3nc(nc3n1)C(C)(C)C	100000	nM
Q02127	CHEMBL1956471	CCOc1nc2nc(C)cc(Nc3ccc(Cl)cc3)n2n1	100000	nM
Q02127	CHEMBL1956268	CC(C)c1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1	100000	nM
Q02127	CHEMBL1956264	CCc1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1	100000	nM
Q02127	CHEMBL1956285	Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n3nc(nc3n1)C(C)(F)F	100000	nM
Q02127	CHEMBL1956286	CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(Cl)cc3)n2n1	100000	nM
Q02127	CHEMBL1956473	CCOc1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1	100000	nM
Q02127	CHEMBL1956275	CCC(C)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1	100000	nM
Q02127	CHEMBL1956277	Cc1cc(Nc2cccc(Cl)c2)n3nc(nc3n1)C4CC4	100000	nM
Q02127	CHEMBL1956290	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3nc(nc3n1)C(F)(F)F	100000	nM
Q02127	CHEMBL1956290	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3nc(nc3n1)C(F)(F)F	100000	nM
Q02127	CHEMBL2047243	Nc1nc2Cc3ccccc3c2c(Nc4ccccc4)n1	200000	nM
Q02127	CHEMBL2047246	Nc1nc2Cc3ccccc3c2c(Nc4cccc(F)c4)n1	200000	nM
Q02127	CHEMBL2047251	COc1cccc(Nc2nc(N)nc3Cc4ccccc4c23)c1	200000	nM
Q02127	CHEMBL2047253	Nc1nc2Cc3ccccc3c2c(Nc4ccc(Cl)cc4F)n1	200000	nM
Q02127	CHEMBL2047248	Nc1nc2Cc3ccccc3c2c(Nc4cccc(Br)c4)n1	200000	nM
Q02127	CHEMBL2047247	Nc1nc2Cc3ccccc3c2c(Nc4ccc(Cl)cc4)n1	200000	nM
Q02127	CHEMBL2177862	Cc1cc(N)n2nc(SCc3ccccc3)nc2n1	100000	nM
Q02127	CHEMBL2178511	Cc1cc(N)n2nc(SCc3ccc(Cl)c(Cl)c3)nc2n1	100000	nM
Q02127	CHEMBL2178512	Cc1cc(NCc2ccccc2)n3nc(SCc4ccccc4)nc3n1	100000	nM
Q02127	CHEMBL2172238	Cc1cc(NC(=O)c2ccccc2)n3ncnc3n1	100000	nM
Q02127	CHEMBL2172233	Cc1nc(Nc2ccc3ccccc3c2)c4nc[nH]c4n1	100000	nM
Q02127	CHEMBL2172237	Cc1cc(NC(=O)c2ccc(cc2)C(F)(F)F)n3ncnc3n1	100000	nM
Q02127	CHEMBL2172226	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3ccnc3n1	100000	nM
Q02127	CHEMBL2177854	COc1ccc(CSc2nc3nc(C)cc(O)n3n2)cc1	63000	nM
Q02127	CHEMBL2172236	Cc1cc(Nc2ccc3ccccc3c2)n4ccnc4n1	100000	nM
Q02127	CHEMBL2172234	Cc1cc(Nc2ccc3ccccc3c2)n4nccc4n1	100000	nM
Q02127	CHEMBL3218524	COc1ccc(C(=O)NCC(c2ccccc2)c3ccccc3)c(O)c1	200000	nM
Q02127	CHEMBL3218525	COc1ccc(O)c(c1)C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3218529	OCc1ccc(O)c(c1)C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3218523	COc1cccc(C(=O)NCC(c2ccccc2)c3ccccc3)c1O	200000	nM
Q02127	CHEMBL3218528	OCc1ccc(C(=O)NCC(c2ccccc2)c3ccccc3)c(O)c1	200000	nM
Q02127	CHEMBL3218530	Oc1cc(C=O)ccc1C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3218517	Oc1ccc(Cl)cc1C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3218520	Oc1c(F)c(F)ccc1C(=O)NCC(c2ccccc2)c3ccccc3	130000	nM
Q02127	CHEMBL3218527	OCc1cccc(C(=O)NCC(c2ccccc2)c3ccccc3)c1O	200000	nM
Q02127	CHEMBL3218512	Oc1ccccc1C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3218518	Oc1c(Cl)cc(Cl)cc1C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3218519	Oc1ccc(Br)cc1C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3218522	Cc1ccc(O)c(c1)C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3218515	Oc1c(Cl)cccc1C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3217764	Oc1c(F)cccc1C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3218516	Oc1cc(Cl)ccc1C(=O)NCC(c2ccccc2)c3ccccc3	200000	nM
Q02127	CHEMBL3593984	CC(=O)Nc1ccccc1c2ccc(cc2)c3nc4c(cccc4[nH]3)C(=O)N	51000	nM
Q02127	CHEMBL3593986	CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3nc4c(cccc4[nH]3)C(=O)N	56000	nM
Q02127	CHEMBL3593990	NC(=O)c1cccc2[nH]c(nc12)c3ccc(cc3)c4cncc(CN5CCCC5)c4	55000	nM
P00374	CHEMBL7976	O=C(\C=C\c1ccccc1)c2ccccc2	100000	nM
P00374	CHEMBL596673	Cc1c(oc2nc(N)nc(N)c12)Sc3ccc4ccccc4c3	200000	nM
P00374	CHEMBL597885	COc1ccc(Sc2oc3nc(N)nc(N)c3c2C)cc1	200000	nM
P00374	CHEMBL598292	COc1cccc(Sc2oc3nc(N)nc(N)c3c2C)c1	200000	nM
P00374	CHEMBL598293	COc1ccc(Sc2oc3nc(N)nc(N)c3c2C)cc1OC	200000	nM
P00374	CHEMBL593154	COc1ccccc1C(=CC2=COC3=NC(=N)NC(=C23)N)CC(C)C	86500	nM
P00374	CHEMBL195221	CN(CC1=NC2C(N)N=C(N)N=C2C=C1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O	2200000	nM
P00374	CHEMBL606362	COc1ccccc1C(CC(C)C)Cc2coc3nc(N)nc(N)c23	62700	nM
P00374	CHEMBL432942	CS(=O)(=O)c1ccc2nc(N)sc2c1	1040000	nM
P00374	CHEMBL225072	NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c[nH]c2N1	66000	nM
P00374	CHEMBL400485	Cc1[nH]c2N=C(N)NC(=O)c2c1Sc3ccc(Cl)c(Cl)c3	62000	nM
P00374	CHEMBL1201794	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C	325000	nM
P00374	CHEMBL596680	Cc1c(oc2nc(N)nc(N)c12)Sc3c(Cl)cccc3Cl	200000	nM
P00374	CHEMBL604722	Cc1c(oc2nc(N)nc(N)c12)Sc3c(F)c(F)c(c(F)c3F)C(F)(F)F	200000	nM
P00374	CHEMBL598090	COc1ccccc1Sc2oc3nc(N)nc(N)c3c2C	200000	nM
P00374	CHEMBL251430	Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4)CC3)cccc2n1	55200	nM
P00374	CHEMBL560502	CCCC1N(N=Cc2ccccc12)C(=O)\C=C\c3cc(Cc4cnc(N)nc4N)cc(O)c3OC	110000	nM
P00374	CHEMBL560502	CCCC1N(N=Cc2ccccc12)C(=O)\C=C\c3cc(Cc4cnc(N)nc4N)cc(O)c3OC	110000	nM
P00374	CHEMBL611984	CC(C)c1cccc(C)c1Sc2oc3nc(N)nc(N)c3c2C	200000	nM
P00374	CHEMBL250075	Nc1nc(N)c2c(OCC3CCN(CC3)C(=O)c4ccccc4Cl)cccc2n1	125000	nM
P00374	CHEMBL1650287	Nc1nnc(CCC(=O)c2cccs2)s1	300000	nM
P00374	CHEMBL535030	Cl.NC1=NC2(CCCCC2)N(Cc3ccc(Cl)c(Cl)c3)C(=N1)N	100000	nM
P00374	CHEMBL251429	Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1	125000	nM
P00374	CHEMBL212761	CC(C)(C)NC(=O)Nc1ccc(cc1)c2c(N)nc(N)nc2COCc3ccccc3	100000	nM
P00374	CHEMBL224974	Cc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c3N=C(N)NC(=O)c13	240000	nM
P00374	CHEMBL33208	COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC	76000	nM
P00374	CHEMBL744	Nc1nc2ccc(OC(F)(F)F)cc2s1	312000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	890000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	340000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	320000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	100000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	680000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	340000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	198000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	120000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	680000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	340000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	680000	nM
P00374	CHEMBL22	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	200000	nM
P00374	CHEMBL565059	COC(=O)C(C)(C)C1N(N=Cc2ccccc12)C(=O)\C=C\c3cc(Cc4cnc(N)nc4N)cc(OC)c3OC	813000	nM
P00374	CHEMBL602104	Cc1c(oc2nc(N)nc(N)c12)Sc3cccc4ccccc34	200000	nM
P00374	CHEMBL251434	Nc1nc(N)c2c(OCC3CCN(CC3)S(=O)(=O)c4ccccc4F)cccc2n1	125000	nM
P00374	CHEMBL1235617	CCC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c3cc(Cc4cnc(N)nc4N)cc(OC)c3OC	110000	nM
P00374	CHEMBL609896	Cc1cccc(C)c1Sc2oc3nc(N)nc(N)c3c2C	200000	nM
P00374	CHEMBL596681	COc1ccc(OC)c(Sc2oc3nc(N)nc(N)c3c2C)c1	200000	nM
P00374	CHEMBL594790	CCCCC(Cc1coc2nc(N)nc(N)c12)c3ccccc3OC	93900	nM
P00374	CHEMBL32266	COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1	160000	nM
P00374	CHEMBL413990	Nc1nc(N)c2c(OCC3CCN(CC3)C(=O)c4cccc(Cl)c4)cccc2n1	125000	nM
P00374	CHEMBL250231	Nc1nc(N)c2c(OCc3cccc(Cl)c3)cccc2n1	98000	nM
P00374	CHEMBL400364	Cc1[nH]c2N=C(N)NC(=O)c2c1Sc3ccc(cc3)[N+](=O)[O-]	54000	nM
P00374	CHEMBL1824521	Cl.CCC1(C)N=C(N)N=C(N)N1Cc2ccc(C)cc2	100000	nM
P00374	CHEMBL1824531	Cl.NC1=NC2(CCCCC2)N(Cc3ccc(F)cc3)C(=N1)N	100000	nM
P00374	CHEMBL1824527	Cl.NC1=NC2(CCCC2)N(Cc3ccc(Cl)cc3)C(=N1)N	100000	nM
P00374	CHEMBL1824522	Cl.CCC1(C)N=C(N)N=C(N)N1Cc2ccc(OC)cc2	100000	nM
P00374	CHEMBL1824528	Cl.NC1=NC2(CCCC2)N(Cc3ccc(Cl)c(Cl)c3)C(=N1)N	100000	nM
P00374	CHEMBL1824523	Cl.CCC1(C)N=C(N)N=C(N)N1Cc2ccc(Cl)cc2	100000	nM
P00374	CHEMBL1824524	Cl.CC1(N=C(N)N=C(N)N1Cc2ccc(Cl)cc2)C3CC3	100000	nM
P00374	CHEMBL1824529	Cl.Cc1ccc(CN2C(=NC(=NC23CCCCC3)N)N)cc1	100000	nM
P00374	CHEMBL1824535	Cl.Cc1ccc(CN2C(=NC(=NC23CCCCCC3)N)N)cc1	100000	nM
P00374	CHEMBL1824530	Cl.COc1ccc(CN2C(=NC(=NC23CCCCC3)N)N)cc1	100000	nM
P00374	CHEMBL1824533	Cl.COc1cc(CN2C(=NC(=NC23CCCCC3)N)N)cc(OC)c1OC	100000	nM
P00374	CHEMBL1824526	Cl.COc1ccc(CN2C(=NC(=NC23CCCC3)N)N)cc1	100000	nM
P00374	CHEMBL1824534	Cl.NC1=NC2(CCCCCC2)N(Cc3ccc(Cl)c(Cl)c3)C(=N1)N	100000	nM
P00374	CHEMBL1824520	Cl.COc1cc(CN2C(=NC(=NC2(C)C)N)N)cc(OC)c1OC	100000	nM
P00374	CHEMBL1824532	Cl.NC1=NC2(CCCCC2)N(Cc3ccc(Cl)cc3)C(=N1)N	100000	nM
P00374	CHEMBL1824525	Cl.Cc1ccc(CN2C(=NC(=NC23CCCC3)N)N)cc1	100000	nM
P00374	CHEMBL2153712	CC(=O)N(CC1CCc2nc(N)nc(N)c2N1C=O)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	100000	nM
P00374	CHEMBL3134008	CC(C)CN(C(=O)Nc1ccc(CCC(=O)O)cc1Cc2ccccc2)C(=O)c3ccc(OCC(=O)O)c(Cc4ccccc4)c3	1000000	nM
P00374	CHEMBL3228460	CC1=Nc2c(O)nc(N)nc2OC1	242000	nM
P00374	CHEMBL3228455	CC1Oc2nc(N)nc(O)c2N=C1C	377000	nM
P00374	CHEMBL3228468	Nc1nc(N)c2N=C(COc2n1)c3ccccc3	168000	nM
P00374	CHEMBL3228458	CC1=Nc2c(O)nc(N)nc2OC1c3ccccc3	740000	nM
P00374	CHEMBL3228466	CC1Oc2nc(N)nc(N)c2N=C1C	903000	nM
P00374	CHEMBL3228459	Nc1nc(O)c2N=C(COc2n1)c3ccccc3	57000	nM
P00374	CHEMBL3787681	Cl.CC1(C)N=C(N)N=C(N)N1c2cccc(\C=C\C(=O)c3ccccc3)c2	100000	nM
P00374	CHEMBL3785981	Cl.CC1(C)N=C(N)N=C(N)N1c2ccc(cc2)C(=O)\C=C\c3ccccc3	56400	nM
P00374	CHEMBL3785320	Cl.CC1(C)N=C(N)N=C(N)N1c2ccc(\C=C\C(=O)c3ccccc3)cc2	100000	nM
Q05397	CHEMBL1290072	COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1	194000	nM
Q05397	CHEMBL570706	CNC1=C(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)C(=O)N(Cc5ccccc5)C=C1	125000	nM
Q05397	CHEMBL570380	COc1cc2nccc(Oc3ccc(NC(=O)C4=CC(=CN(C4=O)c5ccccc5)c6cccs6)nc3)c2cc1OC	125000	nM
Q05397	CHEMBL570189	COc1ccc2c(Oc3ccc(NC(=O)C4=CC(=CN(C4=O)c5ccccc5)c6cnccn6)nc3)ccnc2c1	125000	nM
Q05397	CHEMBL570955	COCCNC1=C(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)C(=O)N(C=C1)c5ccccc5	125000	nM
Q05397	CHEMBL570365	COc1cc2nccc(Oc3ccc(NC(=O)C4=CC(=CN(C4=O)c5ccccc5)c6cccnc6)nc3)c2cc1OC	125000	nM
Q05397	CHEMBL570381	COc1ccc2c(Oc3ccc(NC(=O)C4=CC(=CN(C4=O)c5ccccc5)c6cccnc6)nc3)ccnc2c1	125000	nM
Q05397	CHEMBL515982	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
Q05397	CHEMBL572237	COc1cc2nccc(Oc3ccc(NC(=O)C4=C(C=CN(C4=O)c5ccccc5)N(C)C)nc3)c2cc1OC	125000	nM
Q05397	CHEMBL464351	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
Q05397	CHEMBL570643	COc1cc2nccc(Oc3ccc(NC(=O)C4=C(C=CN(C4=O)c5ccccc5)N6CCN(C)CC6)nc3)c2cc1OC	125000	nM
Q05397	CHEMBL456294	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
Q05397	CHEMBL1968515	O=C1CN2C(=NN1)COc3ccccc23	156000	nM
Q05397	CHEMBL2409601	COc1cc(Nc2nc(C)nc(Nc3ccccc3NC(=O)C)n2)cc(OC)c1OC	50800	nM
Q05397	CHEMBL2409596	CNc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc(Nc3ccccc3NS(=O)(=O)C)n1	65900	nM
Q05397	CHEMBL2409604	COc1cc(Nc2nc(Nc3ccccc3NC(=O)C)nc(n2)C(F)(F)F)cc(OC)c1OC	125600	nM
Q05397	CHEMBL2409597	COc1cc(Nc2nc(Cl)nc(Nc3cccc(NS(=O)(=O)C)c3)n2)cc(OC)c1OC	57800	nM
Q05397	CHEMBL2409603	COc1cc(Nc2nc(C)nc(Nc3ccccc3NC(=O)N(C)C)n2)cc(OC)c1OC	54300	nM
Q05397	CHEMBL3358966	COc1cc(cc(OC)c1OC)C2=NC(=CNC2=O)c3c[nH]c4ccccc34	100000	nM
P08581	CHEMBL517956	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	78000	nM
P08581	CHEMBL456936	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	71500	nM
P08581	CHEMBL228043	C\C(=C(/C#N)\C(=O)Nc1cc(Br)ccc1Br)\O	215000	nM
P08581	CHEMBL515982	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P08581	CHEMBL464351	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P08581	CHEMBL459078	CN1CCN(CC1)c2cnc3cc(cc(c4ccccc4)c3n2)C#N	60200	nM
P08581	CHEMBL456294	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P08581	CHEMBL1950195	CN1CCC2(CC1)C(=O)Nc3ccc(cc23)c4ncc5nnn(Cc6ccc7ncccc7c6)c5n4	140000	nM
P08581	CHEMBL1950196	CN1CCC2(CC1)C(=O)Nc3ccc(cc23)c4ncc5ncn(Cc6ccc7ncccc7c6)c5n4	1100000	nM
P08581	CHEMBL1950199	CN1CCC2(CC1)C(=O)Nc3cc(ccc23)c4ncc5nnn(Cc6ccc7ncccc7c6)c5n4	1200000	nM
P08581	CHEMBL1950200	CN1CCC2(CC1)C(=O)Nc3cc(ccc23)c4ncc5ncn(Cc6ccc7ncccc7c6)c5n4	1400000	nM
P08581	CHEMBL2420911	C1CNCC2(C1)CCN(CC2)c3ncnc4[nH]cnc34	183000	nM
P08581	CHEMBL3109402	COc1cc2nc(C)oc2c(C[C@]3(C)[C@@H](C)CC[C@]4(C)[C@H]3CCC=C4C)c1O	100000	nM
P08581	CHEMBL3358966	COc1cc(cc(OC)c1OC)C2=NC(=CNC2=O)c3c[nH]c4ccccc34	100000	nM
P08581	CHEMBL3360678	Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5NC(=O)Nc45)c(F)c3)cc1	209000	nM
P08581	CHEMBL3360680	Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5c4nc6CCCCn56)c(F)c3)cc1	260000	nM
P00760	CHEMBL10312	FC(F)(F)c1ccc2C(=O)OC(=Nc2c1)Nc3ccccc3I	100000	nM
P00760	CHEMBL320510	CCCCCCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc2ccccc2)C(=O)OCC	220000	nM
P00760	CHEMBL10527	FC(F)(F)c1ccc2C(=O)OC(=Nc2c1)Nc3c(Cl)cccc3Cl	87100	nM
P00760	CHEMBL28	Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2	141500	nM
P00760	CHEMBL150926	C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc2ccccc2)C(=O)c3nccs3	1000000	nM
P00760	CHEMBL436620	O=C(CCCc1ccccc1)N2CCC[C@H]2C(=O)N3CCC[C@@H]3C(=O)c4nccs4	1000000	nM
P00760	CHEMBL10065	[O-][N+](=O)c1ccc2C(=O)OC(=Nc2c1)Nc3ccccc3I	100000	nM
P00760	CHEMBL343518	C[C@@](CCCN=C(N)N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2Cc3ccccc3CN2)C=O	88000	nM
P00760	CHEMBL10435	Fc1ccc2C(=O)OC(=Nc2c1)Nc3ccccc3I	100000	nM
P00760	CHEMBL10248	Cc1ccc2C(=O)OC(=Nc2c1)Nc3ccccc3I	100000	nM
P00760	CHEMBL274319	Clc1ccc2C(=O)OC(=Nc2c1)Nc3ccccc3Cl	100000	nM
P00760	CHEMBL28626	OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O	110800	nM
P00760	CHEMBL150	OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3	105900	nM
P00760	CHEMBL150617	CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc2ccccc2)C(=O)c3nccs3	1000000	nM
P00760	CHEMBL274211	Brc1ccccc1NC2=Nc3ccccc3C(=O)O2	100000	nM
P00760	CHEMBL274816	Clc1ccc(Cl)c(NC2=Nc3ccccc3C(=O)O2)c1	100000	nM
P00760	CHEMBL432621	CCCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)N[C@@H](Cc2ccccc2)C(=O)OCC	560000	nM
P00760	CHEMBL336471	CN[C@@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@](C)(CCCN=C(N)N)C=O	240000	nM
P00760	CHEMBL320750	CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C(NC(=O)c2ccc(cc2)C#N)C(C)C	60000	nM
P00760	CHEMBL130493	COc1cc(ccc1O)[C@@H]2Oc3c(O)cc(cc3[C@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O	144400	nM
P00760	CHEMBL2373062	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O	130000	nM
P00760	CHEMBL3084980	CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)c3nc4ccccc4s3)[C@@H]5CC[C@@H](N)CC5	58000	nM
P53779	CHEMBL1412291	Clc1ccc(cc1)N2CCN(CC2)C(=O)c3ccc(CN4C(=O)Nc5ccccc5C4=O)cc3	87690	nM
P53779	CHEMBL1423507	O=C(CCCCCN1C(=O)c2ccccc2N=C1SCc3ccncc3)NCc4occc4	73050	nM
P53779	CHEMBL1346846	O=C(Nc1ccccn1)c2[nH]cnc2C(=O)c3ccccc3	93120	nM
P53779	CHEMBL1335142	CC1(C)Cc2c(CO1)c(nc(SCC(=O)c3ccccc3)c2C#N)N4CCOCC4	93120	nM
P53779	CHEMBL1572205	CCCCC(=O)Nc1ncc(Br)s1	54860	nM
P53779	CHEMBL1432163	COc1ccc(cc1COC(=O)c2cc(C)oc2C)C(=O)C	61790	nM
P53779	CHEMBL1600661	O=C1NC(=S)C2=C(CCC2)N1c3ccccc3	76050	nM
P53779	CHEMBL597035	Cc1ccnc(Nc2nc(cs2)c3c(C)nc4sccn34)c1	93120	nM
P53779	CHEMBL1582748	Oc1c2nc3cccc(Cl)c3c2ncn1Cc4ccncc4	93120	nM
P53779	CHEMBL1519409	COC(=O)c1ccccc1NC(=O)COC(=O)c2occc2	56710	nM
P53779	CHEMBL1310505	COC(=O)C1=CN(Cc2ccncc2)C(=O)C(=C1)Br	66110	nM
P53779	CHEMBL1366813	CCOc1ccc(cc1C)S(=O)(=O)n2nnc3ccccc23	93120	nM
P53779	CHEMBL1340251	COc1cc(ccc1O)C2NC(=O)NC(=C2C(=O)OCc3ccccc3)C	93120	nM
P53779	CHEMBL1492799	CS(=O)(=O)N1CCN(CC1)c2ccccc2NC(=O)CSc3ccc(Cl)cc3	90470	nM
P53779	CHEMBL1599919	CS(=O)(=O)N1CCN(CC1)c2ccccc2NC(=O)Cc3ccccc3	68850	nM
P53779	CHEMBL1613357	CCOC(=O)c1c(CC(C)C)csc1NC(=O)C	93120	nM
P53779	CHEMBL1359999	Brc1oc(cc1)C(=O)Nc2ccccc2N3CCCC3	64360	nM
P53779	CHEMBL1366600	CCOC(=O)c1c(C)[nH]c2ccc(O)cc12	93120	nM
P53779	CHEMBL1370575	COc1cc(cc(OC)c1OC)C(=O)NCc2cn3ccsc3n2	53140	nM
P53779	CHEMBL1549692	Nc1c(C#N)sc2nc3CCCCc3c(c4occc4)c12	68550	nM
P53779	CHEMBL1305371	COC(=O)c1ccccc1NC(=O)NCc2cccnc2	93120	nM
P53779	CHEMBL1385937	Fc1cccc(c1)C(=O)N2CCCC(C2)C(=O)N3CCCC3	93120	nM
P53779	CHEMBL1335873	CCC1=CC(=O)Oc2cc(C)cc(OC(=O)c3occc3)c12	93120	nM
P53779	CHEMBL1359573	Cc1cccc(c1)n2ncc3c(NCc4cccs4)ncnc23	72000	nM
P53779	CHEMBL1429633	COc1cccc(OCC(=O)Nc2ccccc2C(=O)N)c1	55240	nM
P53779	CHEMBL1517576	Nc1nc2CCCCCc2c(c3occc3)c1C#N	93120	nM
P53779	CHEMBL1565546	O=C(NC1CCCC1)c2cccnc2N3CCCCCC3	93120	nM
P53779	CHEMBL1461003	COc1ccc(NC(=O)CCCCN2C(=O)Nc3ccccc3C2=O)cc1	55090	nM
P53779	CHEMBL1574465	CCOC(=O)C1=C(C)OC(=C(C#N)C1c2cc3ccccc3nc2N4CCCCC4)N	93120	nM
P53779	CHEMBL1483738	COc1ccc(OC)c(c1)C(=O)c2coc3ccc(O)cc23	93120	nM
P53779	CHEMBL1471285	Cc1ccc2c(C)nc(NC3=NCN(Cc4ccccc4)CN3)nc2c1	93120	nM
P53779	CHEMBL1492655	Oc1cccc2c3C(=O)N4CCCCCC4=Nc3sc12	55650	nM
P53779	CHEMBL1455689	Cn1c(NC(=O)c2ccccc2NC(=O)c3occc3)nc4ccccc14	93120	nM
P53779	CHEMBL1420204	CN1C(=O)C=C(SCC(=O)Nc2cc(C)ccn2)c3ccccc13	93120	nM
P53779	CHEMBL1388164	COCc1cc(C)nc(SCC(=O)Nc2cc3OCOc3cc2C#N)c1C#N	93120	nM
P53779	CHEMBL1401280	C(Nc1ncnc2c1cnn2c3ccccc3)c4ccccc4	75810	nM
P53779	CHEMBL1330616	COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC	93120	nM
P53779	CHEMBL1425549	Br.CCOC(=O)CCCc1sc(N)nc1c2[nH]c(O)nc2C	93120	nM
P53779	CHEMBL1455993	Br.CC(=O)Nc1nc(C)c(s1)c2csc(Nc3ccc(O)cc3)n2	93120	nM
P53779	CHEMBL580819	O=C(Nc1cccc(c1)C(=O)Nc2cccc(c2)c3nc4ccccc4[nH]3)c5occc5	68460	nM
P53779	CHEMBL1454264	O=C(Nc1cccc2C(=O)NC(=O)c12)C3CCCO3	56160	nM
P53779	CHEMBL1494965	COc1ccc2c(c1)c3N=CN(Cc4occc4)C(=O)c3n2C	89960	nM
P53779	CHEMBL1574263	Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)c3ccc(CN4C(=O)Nc5ccccc5C4=O)cc3	67510	nM
P53779	CHEMBL1561641	COc1ccccc1c2oc(S)nn2	93120	nM
P53779	CHEMBL1548061	COC(=O)c1cccc(CN2N=Nc3ccccc3C2=O)c1	78760	nM
P53779	CHEMBL1336927	Brc1oc(cc1)c2nn3c(nnc3s2)c4occc4	58030	nM
P53779	CHEMBL1602924	CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C3CC3	93120	nM
P53779	CHEMBL1561555	CN1CC2(Cc3cc(C)ccc13)C(=O)OC4(CCCCC4)OC2=O	93120	nM
P53779	CHEMBL1600077	COC(=O)c1c(NC(=O)CN2CCOCC2)scc1c3cccs3	55660	nM
P53779	CHEMBL1457783	C1COc2cc3c(onc3cc2O1)c4ccccc4	50060	nM
P53779	CHEMBL1325006	COc1ccc(cc1OC)c2oc(nn2)c3oc(Br)cc3	93120	nM
P53779	CHEMBL1566655	Fc1ccccc1N2CCN(CC2)C(=O)CSc3ncccc3c4nc5ccccc5[nH]4	55890	nM
P53779	CHEMBL1321356	Sc1oc(nn1)c2cccc(Br)c2	93120	nM
P53779	CHEMBL1350581	C(Sc1ncnc2c1oc3ccccc23)c4nc5ccccc5[nH]4	93120	nM
P53779	CHEMBL1362814	CCCc1nc(SCC(=O)Nc2cc(C)on2)c3ccccc3n1	83490	nM
P53779	CHEMBL1601252	CCOc1ccc(cc1)C(=O)C2=C(O)C(=O)N(C2c3ccccc3OC)c4cc(C)on4	93120	nM
P53779	CHEMBL1517409	COC(=O)C1=CN(C(=O)C(=C1)Br)c2nccs2	76830	nM
P53779	CHEMBL1497207	CCOC(=O)c1ccccc1NC(=O)c2ccc(NS(=O)(=O)C)cc2	93120	nM
P53779	CHEMBL1524682	CC1CCc2nc(N)c(C#N)c(c2C1)c3ccncc3	93120	nM
P53779	CHEMBL1414671	COc1ccc2c(Cl)c(sc2c1)C(=O)N	68290	nM
P53779	CHEMBL1568650	COC(=O)c1sc(Nc2ccccc2)nc1C	93120	nM
P53779	CHEMBL1364723	CC1=C(C)CS(=O)N(C1)S(=O)(=O)c2ccc(Cl)cc2	93120	nM
P53779	CHEMBL1480110	O=C(CCCN1C(=S)Nc2ccccc2C1=O)NC3CCCC3	64310	nM
P53779	CHEMBL1349172	Nc1nc(SCc2ccncc2)c(C#N)c(c3cccs3)c1C#N	54760	nM
P53779	CHEMBL1329202	CCn1c(nc2ccccc12)C(C)NC(=O)C	93120	nM
P53779	CHEMBL1326511	Cc1ccc(cc1)C(=O)OCc2cc3ccccc3nc2O	93120	nM
P53779	CHEMBL1415054	CCOc1ccc(cc1)C2CC(=O)NC3=C2C(=O)CCC3	93120	nM
P53779	CHEMBL1548066	N#CCCC12CCCCC1=Nc3ccccc23	93120	nM
P53779	CHEMBL1523214	CC(N1N=C(C)c2sc3ccccc3c2C1=O)C(=O)O	93120	nM
P53779	CHEMBL1571018	O=C(Nc1ccc(cc1)c2nc3cccnc3s2)c4occc4	93120	nM
P53779	CHEMBL1525902	Cc1ccccc1c2oc(S)nn2	55500	nM
P53779	CHEMBL1586152	COC1(OC)N=C(N)C2(C#N)C(c3ccc4OCOc4c3)C12C#N	93120	nM
P53779	CHEMBL1611866	Cc1ccccc1n2nc(C)c3cc(sc23)C(=O)N4CCOCC4	93120	nM
P53779	CHEMBL1401485	O=C(Nc1nncs1)c2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O	62890	nM
P53779	CHEMBL1584083	Cc1[nH]c(O)nc1C(=O)CCCCC(=O)OCC(=O)Nc2ccccn2	93120	nM
P53779	CHEMBL1448047	CCOC(=O)c1ccc2[nH]c3C(=O)CCCCc3c2c1	93120	nM
P53779	CHEMBL1589110	COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)n3cnc4cc(ccc34)C(F)(F)F	54610	nM
P53779	CHEMBL1524458	CCCc1nc(SCC(=O)N2CCCC2)c3ccccc3n1	50440	nM
P53779	CHEMBL1429028	Nc1ccc(cc1)n2c(N)c(C(=O)NCc3ccc4OCOc4c3)c5nc6ccccc6nc25	93120	nM
P53779	CHEMBL1498218	COC(=O)c1ccccc1NC(=O)COC(=O)CSCC(=O)N2CCOCC2	93120	nM
P53779	CHEMBL1407912	CCc1ccc2C(=CC(=O)Oc2c1)COC(=O)c3[nH]nc4ccccc34	93120	nM
P53779	CHEMBL1449871	Brc1ccccc1OCc2oc(cc2)C(=O)Nc3cccnc3	93120	nM
P53779	CHEMBL1529808	CCCN1Cc2cccc(C(=O)NCc3ccccc3)c2C1=O	57830	nM
P53779	CHEMBL1536681	C1Cc2n[nH]c(c2C1)c3ccccc3	50880	nM
P53779	CHEMBL1368020	CCOc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c3ccc(cc3)n4cnnn4)c1	93120	nM
P53779	CHEMBL1563647	COC(=O)c1c2CCCCc2nc(N)c1C#N	60150	nM
P53779	CHEMBL1324113	Cc1c(oc2ccccc12)c3nc(N)nc(Nc4ccccc4)n3	93120	nM
P53779	CHEMBL1481517	Fc1cc2nccnc2cc1N3CCSCC3	50200	nM
P53779	CHEMBL1425417	CNC(=O)c1[nH]cnc1C(=O)Nc2cccc(OC)c2	50120	nM
P53779	CHEMBL1527654	COc1ccccc1NC(=O)COc2ccc(CO)cc2Cl	68610	nM
P53779	CHEMBL1542195	Cc1onc(NC(=O)COC(=O)c2[nH]nc3ccccc23)c1	62730	nM
P53779	CHEMBL1420829	CN1C(=O)C=C(OCCCC(=O)Nc2cc(C)ccn2)c3ccccc13	62390	nM
P53779	CHEMBL493698	C(Cn1c2ccccc2c3nc4ccccc4nc13)N5CCOCC5	93120	nM
P53779	CHEMBL1399107	COc1cccc2c(O)c(C\C=C(\C)/Cl)c(C)nc12	75010	nM
P53779	CHEMBL1470122	CCOc1ccccc1NC(=O)COc2cccc(c2)n3cnnn3	69200	nM
P53779	CHEMBL1422363	CCOc1ccc(NC(=O)CN2C(=O)C3CCCN3C2=O)cc1	93120	nM
P53779	CHEMBL1498547	Cn1nnnc1SCc2ccc(cc2)C(=O)Nc3nccs3	56860	nM
P53779	CHEMBL1455874	CCOC(=O)c1c(N)[nH]nc1c2ccc(OC)cc2	63060	nM
P53779	CHEMBL1325363	Cc1nn(c2Sc3nc4ccccc4n3C(O)c12)c5ccccc5	93120	nM
P53779	CHEMBL1403868	CCCC(=O)Nc1cc(C)c2C(=O)Oc3ccccc3c2n1	54420	nM
P53779	CHEMBL1496523	CN1C(=O)c2cc(C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)n(C)c2c6ccccc16	72610	nM
P53779	CHEMBL1336564	CC(=O)c1sc2nc(SCC(=O)N3CCCCC3)nc(O)c2c1C	93120	nM
P53779	CHEMBL1371386	C(Nc1ncnc2c1cnn2c3ccccc3)c4occc4	60940	nM
P53779	CHEMBL1414492	COC(=O)c1ccccc1NC(=O)c2ccc(NS(=O)(=O)C)cc2	55390	nM
P53779	CHEMBL1377423	COc1ccc(cc1)C2C(CCC(=O)N2c3ccc(OC)cc3)C(=O)NCc4occc4	93120	nM
P53779	CHEMBL1522364	COC(=O)c1sccc1NC(=O)c2occc2	93120	nM
P53779	CHEMBL1573861	Cc1ccc2OC(=O)c3cnn(CC(=O)N4CCN(CC4)c5ccccn5)c3c2c1	93120	nM
P53779	CHEMBL1385852	OC(=O)CSc1ccc2ccccc2n1	93120	nM
P53779	CHEMBL3189751	Oc1[nH]c2ccccc2c1\C=N\c3ccc4OCOc4c3	93120	nM
P53779	CHEMBL3189642	CCc1cc2C(=O)N(CC=C)C(=Nc2s1)SC\C(=C(\C#N)/C(=N)C)\O	61460	nM
P53779	CHEMBL3192913	C\C(=N/Cc1occc1)\c2c(C)nn(c2O)c3nc4ccccc4s3	93120	nM
P53779	CHEMBL3195180	O\C(=C(/C#N)\c1ccccn1)\c2occc2	51890	nM
P53779	CHEMBL3190626	CN(C)\C=N\C(=O)\C(=C\1/CCc2ccccc2N1)\C#N	93120	nM
P53779	CHEMBL3197885	Oc1[nH]c2ccccc2c1\C=N\c3ccc4OCCOc4c3	89940	nM
P53779	CHEMBL3189853	COc1ccc(cc1OC)\N=C\c2c(O)[nH]c3ccccc23	93120	nM
P00491	CHEMBL599189	Nc1ncnc2c1ccn2[C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O	300000	nM
P00491	CHEMBL599190	NC1=Nc2c(ccn2[C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C(=S)N1	315000	nM
P00491	CHEMBL602747	OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c2[nH]nc3C(=O)N=CNc23	300000	nM
P00797	CHEMBL566200	COc1ccc(cc1C)C2(N=C(N)N(C)C2=O)c3cccc(c3)c4cccnc4	93400	nM
P00797	CHEMBL348587	CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)N2CCOCC2)Cc3cccc4ccccc34)C(O)C(=O)OC(C)C	100000	nM
P00797	CHEMBL159462	COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)NCCc2ccccc2)Cc3cccc4ccccc34	100000	nM
P00797	CHEMBL567688	COc1ccc(cc1C)C2(N=C(N)N(C)C2=O)c3ccc(F)c(c3)c4cncnc4	57600	nM
P00797	CHEMBL551279	CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)S(=O)(=O)c1ccc(OC)cc1	100000	nM
P00797	CHEMBL584694	COc1ccc(cc1)C2(N=C(N)N(C)C2=O)C34CC5CC(CC(C5)C3)C4	53300	nM
P00797	CHEMBL584284	COc1ccc(cc1C)C2(N=C(N)N(C)C2=O)C34CC5CC(CC(C5)C3)C4	59500	nM
P00797	CHEMBL2347208	C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F	200000	nM
P27487	CHEMBL176211	FC(=C1CCCCC1)CNCc2ccccc2	1000000	nM
P27487	CHEMBL368716	COc1ccc(CNCC(=C2CCCC2)F)cc1	1000000	nM
P27487	CHEMBL269277	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O	55820	nM
P27487	CHEMBL66879	OC(=O)\C=C\c1ccc(O)cc1	83180	nM
P27487	CHEMBL1243127	F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]2C[C@@H](CC(=O)N3Cc4ccc(Cl)cc4C3)C(=O)N2	100000	nM
P27487	CHEMBL1243215	CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2C[C@@H](CC(=O)N3Cc4ccccc4C3)C(=O)N2	100000	nM
P27487	CHEMBL1243374	O=C(CNC(=O)c1cccc2ccccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL1243374	O=C(CNC(=O)c1cccc2ccccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL1242993	O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N2CCC[C@H]2C#N)N3CCc4ccsc4C3	100000	nM
P27487	CHEMBL175629	S=C(CNCc1ccccc1)N2CCCCC2	1000000	nM
P27487	CHEMBL1243027	FC(F)(F)c1nnc2CN(CCn12)C(=O)C[C@@H]3C[C@H](NC3=O)C(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL397070	CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1	90000	nM
P27487	CHEMBL397070	CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1	100000	nM
P27487	CHEMBL397070	CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1	90000	nM
P27487	CHEMBL236602	N[C@@H](Cc1cnc[nH]1)C(=O)N2CCCC2P(=O)(Oc3ccccc3)Oc4ccccc4	326000	nM
P27487	CHEMBL392163	CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)C)cc2)C3N(Cc4ccccc34)C(=O)[C@H](CCCCN)NC(=O)OCc5ccccc5)cc1	250000	nM
P27487	CHEMBL238050	CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc3ccc(NC(=O)C)cc3)Oc4ccc(NC(=O)C)cc4	250000	nM
P27487	CHEMBL1243060	O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N2CCC[C@H]2C#N)N3CCN(CC3)c4ccncc4	100000	nM
P27487	CHEMBL1243061	Clc1ccc(cc1)C2=CCN(CC2)C(=O)C[C@@H]3C[C@H](NC3=O)C(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL1242994	FC(F)(F)c1cn2CCN(Cc2n1)C(=O)C[C@@H]3C[C@H](NC3=O)C(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL1243126	F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]2C[C@@H](CC(=O)N3Cc4ccccc4C3)C(=O)N2	100000	nM
P27487	CHEMBL1243153	FC1(F)C[C@@H](C#N)N(C1)C(=O)[C@@H]2C[C@@H](CC(=O)N3Cc4ccccc4C3)C(=O)N2	100000	nM
P27487	CHEMBL1243153	FC1(F)C[C@@H](C#N)N(C1)C(=O)[C@@H]2C[C@@H](CC(=O)N3Cc4ccccc4C3)C(=O)N2	100000	nM
P27487	CHEMBL1088406	O=C(OCc1ccccc1)N2CCC[C@H]2C(=O)N3CCCC3	100000	nM
P27487	CHEMBL400359	COc1ccc2c(CN(C)c3c2ccc4cc5OCOc5cc34)c1OC	56230	nM
P27487	CHEMBL237673	N[C@@H](CO)C(=O)N1CCCC1P(=O)(Oc2ccccc2)Oc3ccccc3	503000	nM
P27487	CHEMBL98869	N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N2CCCCC2	196000	nM
P27487	CHEMBL368869	O=C(CNCc1ccc2OCOc2c1)N3CCCCC3	1000000	nM
P27487	CHEMBL175260	O=C(CNCc1ccccc1)N2CCCC2	1000000	nM
P27487	CHEMBL176062	S=C(CNCc1ccc2OCOc2c1)N3CCCCC3	1000000	nM
P27487	CHEMBL178843	S=C(CNC1CCCCC1)C2CCCC2	1000000	nM
P27487	CHEMBL176121	C(NC1CCCCC1)C=C2CCCC2	1000000	nM
P27487	CHEMBL366856	F\C(=C\1/CCCC1C#N)\CNCCc2ccccc2	1000000	nM
P27487	CHEMBL180424	COc1ccc(CNCC(=C2CCCCC2)F)cc1	250000	nM
P27487	CHEMBL189620	O=C(CCCc1ccccc1)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL177180	FC(=C1CCCC1)CNC2CCCCC2	1000000	nM
P27487	CHEMBL366345	FC(=C1CCCCC1)CNC2CCN(Cc3ccccc3)CC2	250000	nM
P27487	CHEMBL98762	N[C@@H](CCNCc1ccccc1Cl)C(=O)N2CCCCC2	100000	nM
P27487	CHEMBL215299	C[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc2ccc(Cl)cc2	325000	nM
P27487	CHEMBL214630	N[C@@H](C[C@H](Cc1ccccc1)NCc2ccc(Cl)cc2)C(=O)N3CCCCC3	125000	nM
P27487	CHEMBL362018	N[C@@H](CC(=O)N1CCN(CC1)C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL175966	F\C(=C\1/CCCC1C#N)\CNCc2ccc(F)cc2	500000	nM
P27487	CHEMBL1242966	FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]3C[C@H](NC3=O)C(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL176944	FC(=C1CCCCC1)CNC2CCNCC2	1000000	nM
P27487	CHEMBL175900	FC(=C1CCCCC1)CNCCc2ccccc2	1000000	nM
P27487	CHEMBL509777	O=C(CN1CCc2ccccc2C1)N3CCC[C@H]3C#N	390000	nM
P27487	CHEMBL1243093	O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N2CCC[C@H]2C#N)Nc3ccccc3	100000	nM
P27487	CHEMBL175708	C(CN1CCCC1)NCc2ccccc2	1000000	nM
P27487	CHEMBL178975	FC(=C1CCCCC1)CNC23CC4CC(CC(C4)C2)C3	250000	nM
P27487	CHEMBL236586	CC(C)[C@H](N)C(=O)N1CCCC1P(=O)(Oc2ccccc2)Oc3ccccc3	89000	nM
P27487	CHEMBL237658	N[C@@H](Cc1ccccc1)C(=O)N2CCCC2P(=O)(Oc3ccccc3)Oc4ccccc4	142000	nM
P27487	CHEMBL398373	NCCCC[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc3ccccc3)Oc4ccccc4	500000	nM
P27487	CHEMBL237860	CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc3ccccc3)Oc4ccccc4	1000000	nM
P27487	CHEMBL361154	FC(=C1CCCCC1)CNCc2ccc(F)cc2	250000	nM
P27487	CHEMBL1243248	O=C(CC1C[C@H](NC1=O)C(=O)N2CCC[C@H]2C#N)N3Cc4ccccc4C3	100000	nM
P27487	CHEMBL384382	C[C@H]1N(CCCNC1=O)C(=O)C[C@@H](N)Cc2cc(F)c(F)cc2F	67000	nM
P27487	CHEMBL177696	O=C(CNC1CCCCC1)N2CCCCC2	1000000	nM
P27487	CHEMBL177472	C(NCc1ccccc1)C=C2CCCC2	1000000	nM
P27487	CHEMBL177632	O=C(NC1CCN(Cc2ccccc2)CC1)N3CCCCC3	1000000	nM
P27487	CHEMBL359843	FC(=C1CCCC1)CNC2CCN(Cc3ccccc3)CC2	250000	nM
P27487	CHEMBL177823	C(NCc1ccc2OCOc2c1)C=C3CCCC3	250000	nM
P27487	CHEMBL391720	N[C@@H](CC(=O)O)C(=O)N1CCCC1P(=O)(Oc2ccccc2)Oc3ccccc3	1000000	nM
P27487	CHEMBL1242940	Fc1ccc2CN(Cc2c1)C(=O)C[C@@H]3C[C@H](NC3=O)C(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL508494	COc1cc2C=C(Oc3ccc4C=CC(=O)Oc4c3)C(=O)Oc2cc1O	87100	nM
P27487	CHEMBL1243154	O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N2CCSC2)N3Cc4ccccc4C3	100000	nM
P27487	CHEMBL361235	N[C@@H](C1CCCCC1)C(=O)N2CCc3ccccc3C2	230000	nM
P27487	CHEMBL176262	O=C(CNCc1ccccc1)N2CCCCC2	1000000	nM
P27487	CHEMBL177265	F\C(=C/1\CCCC1C#N)\CNCCc2ccccc2	500000	nM
P27487	CHEMBL17347	CCOC(=O)\C=C\c1ccc(O)c(O)c1	87720	nM
P27487	CHEMBL289651	O=C(CCCc1ccccc1)N2CCC[C@H]2C(=O)N3CCCC3	100000	nM
P27487	CHEMBL176202	CN1CCC(CC1)NCC(=C2CCCCC2)F	125000	nM
P27487	CHEMBL367660	FC(=C1CCCC1)CNCc2ccccc2	1000000	nM
P27487	CHEMBL179382	FC(=C1CCCCC1)CNCc2ccc3OCOc3c2	250000	nM
P27487	CHEMBL175988	CN(C)CCCNCC(=C1CCCCC1)F	1000000	nM
P27487	CHEMBL178433	S=C(CNCc1ccc2OCOc2c1)C3CCCC3	1000000	nM
P27487	CHEMBL176096	FC(=C1CCCC1)CNCCc2ccccc2	1000000	nM
P27487	CHEMBL275472	FC(=C1CCCCC1)CNC2CCCCC2	500000	nM
P27487	CHEMBL178844	S=C(CNCc1ccccc1)C2CCCC2	1000000	nM
P27487	CHEMBL215824	C[C@H](C[C@H](N)C(=O)N1CCCCC1)NCc2ccc(Cl)cc2	250000	nM
P27487	CHEMBL215244	CC[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc2ccc(Cl)cc2	100000	nM
P27487	CHEMBL214580	CCC(C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc2ccc(Cl)cc2	234000	nM
P27487	CHEMBL213514	N[C@@H](C[C@@H](Cc1ccccc1)NCc2ccc(Cl)cc2)C(=O)N3CCCCC3	125000	nM
P27487	CHEMBL391721	NCCCC[C@H](N)C(=O)N1CCCC1P(=O)(Oc2ccccc2)Oc3ccccc3	117000	nM
P27487	CHEMBL437965	CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc3ccc(NC(=O)C)cc3)Oc4ccc(NC(=O)C)cc4	1000000	nM
P27487	CHEMBL1243092	O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N2CCC[C@H]2C#N)N3CCCCC3	100000	nM
P27487	CHEMBL1242939	Clc1ccc2CN(Cc2c1)C(=O)C[C@@H]3C[C@H](NC3=O)C(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL1243402	O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N2CCC[C@H]2C#N)N3Cc4ccccc4C3	100000	nM
P27487	CHEMBL1243403	O=C(C[C@H]1C[C@H](NC1=O)C(=O)N2CCC[C@H]2C#N)N3Cc4ccccc4C3	100000	nM
P27487	CHEMBL1243216	NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2C[C@@H](CC(=O)N3Cc4ccccc4C3)C(=O)N2	100000	nM
P27487	CHEMBL1243373	OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c2cccc3ccccc23	100000	nM
P27487	CHEMBL179423	FC(=C1CCCCC1)CNCc2cccc(c2)C(F)(F)F	125000	nM
P27487	CHEMBL179028	CN(C)CCCNCC(=C1CCCC1)F	1000000	nM
P27487	CHEMBL179248	FC(=C1CCCC1)CNCc2ccc(F)cc2	1000000	nM
P27487	CHEMBL175977	S=C(CNC1CCCCC1)N2CCCCC2	1000000	nM
P27487	CHEMBL1243091	O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N2CCC[C@H]2C#N)N3CCCC3	100000	nM
P27487	CHEMBL1242967	O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N2CCC[C@H]2C#N)N3CCc4ccccc4C3	100000	nM
P27487	CHEMBL373665	CC(C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc2ccc(Cl)cc2	125000	nM
P27487	CHEMBL427850	CC[C@H](C)[C@H](N)C(=O)N1CCCC1P(=O)(Oc2ccccc2)Oc3ccccc3	125000	nM
P27487	CHEMBL399402	CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc3ccccc3)Oc4ccccc4	250000	nM
P27487	CHEMBL176138	FC(=C1CCCC1)CNCCc2ccccn2	1000000	nM
P27487	CHEMBL175442	FC(=C1CCCCC1)CNc2ccccc2	250000	nM
P27487	CHEMBL177644	O=C(CNCc1ccc2OCOc2c1)N3CCCC3	1000000	nM
P27487	CHEMBL175764	C(CN1CCCC1)NCc2ccc3OCOc3c2	250000	nM
P27487	CHEMBL177746	O=C(CNC1CCCCC1)N2CCCC2	148000	nM
P27487	CHEMBL363375	N[C@@H](CC(=O)N1CCc2sc(nc2C1)C(F)(F)F)Cc3cc(F)ccc3F	95000	nM
P27487	CHEMBL173824	F\C(=C/1\CCCC1C#N)\CNCc2ccc(F)cc2	1000000	nM
P27487	CHEMBL177735	C(CN1CCCC1)NC2CCCCC2	1000000	nM
P27487	CHEMBL234236	CCCC[C@@H]1CN(CC[C@H]1N)c2ccc(OC)c(c2)c3ccccc3	142000	nM
P27487	CHEMBL1243183	O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N2CCCC2)N3Cc4ccccc4C3	100000	nM
P27487	CHEMBL206743	N[C@H]([C@H](N)c1ccccc1)c2ccccc2	75000	nM
P27487	CHEMBL392139	NCC[C@H](N)C(=O)N1CCCC1P(=O)(Oc2ccccc2)Oc3ccccc3	261000	nM
P27487	CHEMBL440982	CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)C)cc2)C3N(Cc4ccccc34)C(=O)[C@@H](N)CCCCN)cc1	500000	nM
P27487	CHEMBL523066	NC[C@H](NC(=O)N1CCC[C@H]1C#N)C2CCCCC2	180000	nM
P27487	CHEMBL1243028	Fc1ccc(cc1)N2CCN(CC2)C(=O)C[C@@H]3C[C@H](NC3=O)C(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL1814740	N[C@@H](CC(=O)N1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3)C(=O)N4Cc5ccc(F)cc5C4.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1814745	N[C@@H](CC(=O)N1CCCN(CC1)C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)N4Cc5ccccc5C4.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1814751	N[C@@H](CC(=O)N1CCN(CC1)C(=O)C2c3ccccc3c4ccccc24)C(=O)N5Cc6ccccc6C5.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1814737	N[C@@H](CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1)C(=O)N3Cc4ccccc4C3.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1814747	N[C@@H](CC(=O)N1CCN(Cc2ccc(F)cc2)CC1)C(=O)N3Cc4ccccc4C3.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1814756	Cl.N[C@@H](CC(=O)N1CCC(CC1)N2CCCCC2)C(=O)N3Cc4ccccc4C3	100000	nM
P27487	CHEMBL1814758	N[C@@H](CC(=O)NC(c1ccc(F)cc1)c2ccc(F)cc2)C(=O)N3Cc4ccccc4C3.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1814752	N[C@@H](CC(=O)N1CCN(CC1)C(=O)C(c2ccc(Cl)cc2)c3ccc(Cl)cc3)C(=O)N4Cc5ccccc5C4.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1814754	Cl.N[C@@H](CC(=O)N1CCC[C@H]1C(=O)N2CCN(CC2)C(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5Cc6ccccc6C5	100000	nM
P27487	CHEMBL1814753	Cl.N[C@@H](CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)c3ccccc3)C(=O)N4Cc5ccccc5C4	100000	nM
P27487	CHEMBL1814743	N[C@@H](CC(=O)N1CCN(Cc2ccc(cc2)c3ccccc3C#N)CC1)C(=O)N4Cc5ccccc5C4	100000	nM
P27487	CHEMBL1814738	OC(=O)C(F)(F)F.Fc1ccc(cc1)C(N2CCN(CC2)C(=O)CCC(=O)N3Cc4ccccc4C3)c5ccc(F)cc5	100000	nM
P27487	CHEMBL1812727	CN1C(=C(c2ccccc2)c3cc(Cl)ccc3C1=O)CO	100000	nM
P27487	CHEMBL1814759	Cl.N[C@@H](CC(=O)NC1CCN(C1)C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)N4Cc5ccccc5C4	100000	nM
P27487	CHEMBL1814748	C[C@H]1CN(CCN1C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)C[C@H](N)C(=O)N4Cc5ccccc5C4.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1812730	CN1C(=C(c2ccccc2)c3cc(Cl)ccc3C1=O)N	100000	nM
P27487	CHEMBL1812731	CNCC1=C(c2ccccc2)c3cc(Cl)ccc3C(=O)N1CC(C)C	100000	nM
P27487	CHEMBL1811949	Cl.CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N2CCN(CC2)C(=O)C[C@H](N)C(=O)N3Cc4ccccc4C3	100000	nM
P27487	CHEMBL1814634	N[C@@H](CCC(=O)N1CCN(CC1)C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)N4Cc5ccccc5C4.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1814757	N[C@@H](CC(=O)NC(c1ccccc1)c2ccccc2)C(=O)N3Cc4ccccc4C3.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1814632	Cl.N[C@@H](CC(=O)NC12CC3CC(CC(O)(C3)C1)C2)C(=O)N4Cc5ccccc5C4	100000	nM
P27487	CHEMBL1814744	N[C@@H](CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)N3Cc4ccccc4C3.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL1814755	Cl.N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NC(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)N4Cc5ccccc5C4	100000	nM
P27487	CHEMBL1812732	CC(C)CN1C(=C(c2ccccc2)c3cc(Cl)ccc3C1=O)CN(C)C	100000	nM
P27487	CHEMBL1812729	Cl.CN1C(=C(c2ccccc2)c3cc(Cl)ccc3C1=O)CCN	87000	nM
P27487	CHEMBL2024673	COc1cccc(c1)C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL2022507	Clc1ccc(CC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1	100000	nM
P27487	CHEMBL2022510	COc1ccc(cc1OC2CCCC2)C(=O)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2022516	Fc1ccc(cc1)C(N2CCN(CC(=O)NCC(=O)N3CCC[C@H]3C#N)CC2)c4ccc(F)cc4	100000	nM
P27487	CHEMBL2022525	[N-]=[N+]=N[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2ccccc2	100000	nM
P27487	CHEMBL2022505	O=C(CCc1ccccc1)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL2022528	F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2cccc3ccccc23	100000	nM
P27487	CHEMBL2022531	C=C1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2cccc3ccccc23	100000	nM
P27487	CHEMBL2011537	N[C@@H]1CCN(C1)c2ccc(cn2)N3C=CC(=CC3=O)OCc4ccccc4	100000	nM
P27487	CHEMBL2022506	O=C(Cc1cccs1)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL2022515	COc1cccc(c1)S(=O)(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL2022519	Fc1ccc(CN2CCN(CC2)C(=O)CCC(=O)NCC(=O)N3CCC[C@H]3C#N)cc1	100000	nM
P27487	CHEMBL2022522	CC(C)(C)OC(=O)N1CCN(CC1)c2cn(CC(=O)NCC(=O)N3CCC[C@H]3C#N)nn2	100000	nM
P27487	CHEMBL2024671	O=C(CCCc1ccccc1)N2CCC[C@@H]2C(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2022509	FC(F)(F)Oc1ccc(cc1)C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL2022521	Fc1ccc(cc1F)c2cn(CC(=O)NCC(=O)N3CCC[C@H]3C#N)nn2	100000	nM
P27487	CHEMBL2022526	[N-]=[N+]=N[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2cccc3ccccc23	100000	nM
P27487	CHEMBL2022530	FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2cccc3ccccc23	100000	nM
P27487	CHEMBL2022533	FC(F)(F)[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2cccc3ccccc23	100000	nM
P27487	CHEMBL2022508	Clc1ccc(cc1)C(C(=O)NCC(=O)N2CCC[C@H]2C#N)c3ccc(Cl)cc3	100000	nM
P27487	CHEMBL2022513	O=C(CNC(=O)c1cccc(c1)c2ccccc2)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2022518	Fc1ccc(cc1)C(NC(=O)CCC(=O)NCC(=O)N2CCC[C@H]2C#N)c3ccc(F)cc3	100000	nM
P27487	CHEMBL2022529	FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2ccccc2	100000	nM
P27487	CHEMBL2022534	O=C(CNC(=O)c1ccccc1)N2CCCC[C@H]2C#N	100000	nM
P27487	CHEMBL2024672	O=C(CNC(=O)c1ccccc1)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL2022514	O=C(CNC(=O)c1ccc2ccccc2c1)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2022520	Fc1ccc(cc1)C(N2CCN(CC2)C(=O)CCC(=O)NCC(=O)N3CCC[C@H]3C#N)c4ccc(F)cc4	100000	nM
P27487	CHEMBL2022523	O=C(CNC(=O)c1ccccc1)N2CCCC2	100000	nM
P27487	CHEMBL2024674	CC(C)CC(=O)NCC(=O)N1CCC[C@H]1C#N	100000	nM
P27487	CHEMBL2022527	[N-]=[N+]=N[C@@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2cccc3ccccc23	100000	nM
P27487	CHEMBL2022511	Clc1cccc(Cl)c1C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL2022517	Fc1ccc(CNC(=O)CCC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1	100000	nM
P27487	CHEMBL2022524	CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c2ccccc2	100000	nM
P27487	CHEMBL2021934	CC1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2ccccc2	100000	nM
P27487	CHEMBL2022532	CCC1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2cccc3ccccc23	100000	nM
P27487	CHEMBL2022535	O=C(CNC(=O)c1cccc2ccccc12)N3CCCC[C@H]3C#N	100000	nM
P27487	CHEMBL1182947	O=C([C@@H]1CCCN1)N2CCCC2P(=O)(Oc3ccccc3)Oc4ccccc4	55000	nM
P27487	CHEMBL2178967	Brc1ccc(cc1)c2cn(nn2)[C@H]3C[C@H](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CCCC5	100000	nM
P27487	CHEMBL2178964	Fc1ccc(c(F)c1)c2cn(nn2)[C@H]3C[C@H](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CCCC5	100000	nM
P27487	CHEMBL2178979	O=C(OCc1ccccc1)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4ccnn4	100000	nM
P27487	CHEMBL2178966	Clc1ccccc1c2cn(nn2)[C@H]3C[C@H](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CCCC5	100000	nM
P27487	CHEMBL2178960	CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCCC4	100000	nM
P27487	CHEMBL2178965	Fc1ccc(cc1F)c2cn(nn2)[C@H]3C[C@H](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CCCC5	100000	nM
P27487	CHEMBL2178974	CC(C)(C)OC(=O)N1CCN(Cc2cn(nn2)[C@H]3C[C@H](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CCCC5)CC1	100000	nM
P27487	CHEMBL2178958	[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc2ccccc2)C(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2178955	[N-]=[N+]=N[C@@H]1C[C@H](N(C1)C(=O)CCCc2ccccc2)C(=O)N3CCCC3	100000	nM
P27487	CHEMBL2178969	O=C(CCCc1ccccc1)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccccn5	100000	nM
P27487	CHEMBL2333026	C[C@@H](NC(=O)c1ccncc1)C(=O)N2CCC[C@H]2B(O)O	100000	nM
P27487	CHEMBL2333026	C[C@@H](NC(=O)c1ccncc1)C(=O)N2CCC[C@H]2B(O)O	100000	nM
P27487	CHEMBL2333024	CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N2CCC[C@H]2B(O)O	100000	nM
P27487	CHEMBL2178961	O=C(OCc1ccccc1)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccccc5	100000	nM
P27487	CHEMBL2178962	O=C(CCCc1ccccc1)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccccc5	100000	nM
P27487	CHEMBL2178957	CC(C)(C)OC(=O)NCc1cn(nn1)[C@@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCCC4	100000	nM
P27487	CHEMBL2178968	O=C(OCc1ccccc1)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccccn5	100000	nM
P27487	CHEMBL2178972	CN(C)Cc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCCC4	100000	nM
P27487	CHEMBL2179408	CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)OCc3ccccc3)C(=O)N4CCCC4	100000	nM
P27487	CHEMBL2178970	O=C(CCCc1ccccc1)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(COCc5ccccc5)nn4	100000	nM
P27487	CHEMBL2179405	C[Si](C)(C)c1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)OCc3ccccc3)C(=O)N4CCCC4	100000	nM
P27487	CHEMBL2178956	O=C(CCCc1ccccc1)N2C[C@@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccccc5	100000	nM
P27487	CHEMBL2178978	[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc2ccccc2)C(=O)N3CCCC3	100000	nM
P27487	CHEMBL2178963	Fc1ccc(cc1)c2cn(nn2)[C@H]3C[C@H](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CCCC5	100000	nM
P27487	CHEMBL2178975	O=C(CCCc1ccccc1)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(CN5CCNCC5)nn4	100000	nM
P27487	CHEMBL2179406	O=C(CCCc1ccccc1)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)C5CC5	100000	nM
P27487	CHEMBL2178977	[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)OCc2ccccc2)C(=O)N3CCCC3	100000	nM
P27487	CHEMBL2178971	Cl.NCc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCCC4	100000	nM
P27487	CHEMBL2179407	O=C(CCCc1ccccc1)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)C5CCCCC5	100000	nM
P27487	CHEMBL2178959	CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL2385285	O=C(COc1cccc2ccccc12)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385288	O=C(COc1ccc2ccccc2c1)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385282	O=C(CNC(=O)c1c[nH]c2ccccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385296	COc1ccc(cc1)c2cc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c4ccccc4n2	100000	nM
P27487	CHEMBL2385301	Clc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1	100000	nM
P27487	CHEMBL2385284	O=C(COc1ccc2ccccc2c1)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385294	Cc1nc2ccccc2c(C(=O)NCC(=O)N3CCC[C@H]3C#N)c1O	100000	nM
P27487	CHEMBL2385299	Clc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12	100000	nM
P27487	CHEMBL2385273	Brc1ccc2c(ccnc2c1)C(=O)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385277	O=C(CNC(=O)c1cccc2ncccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385289	O=C(CNS(=O)(=O)c1cccc2ccccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385298	Oc1cnc2ccccc2c1C(=O)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385281	O=C(CNC(=O)c1ccnc2ccccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385281	O=C(CNC(=O)c1ccnc2ccccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385272	Clc1ccc2c(ccnc2c1)C(=O)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385286	O=C(Cc1cccc2ccccc12)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385287	O=C(COc1cccc2ccccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385290	O=C(CNc1ccc(cn1)C#N)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL2385293	Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c3ccccc3n1	100000	nM
P27487	CHEMBL2385300	Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12	100000	nM
P27487	CHEMBL2385300	Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12	100000	nM
P27487	CHEMBL2385271	COc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1	100000	nM
P27487	CHEMBL2385302	FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1	100000	nM
P27487	CHEMBL2385283	O=C(CNC(=O)c1cc2ccccc2[nH]1)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385295	Oc1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c3ccccc3n1	100000	nM
P27487	CHEMBL2385274	Clc1cccc2c(ccnc12)C(=O)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385275	Brc1cccc2c(ccnc12)C(=O)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385280	O=C(CNC(=O)c1cccc2cccnc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385270	Fc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1	100000	nM
P27487	CHEMBL2385276	O=C(CNC(=O)c1cncc2ccccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385278	O=C(CNC(=O)c1cccc2cnccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385279	O=C(CNC(=O)c1cccc2ccncc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL2385297	O=C(CNC(=O)c1c2CCCCc2nc3ccccc13)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL2425082	N[C@@H]1C[C@H](CO[C@@H]1c2cc(F)ccc2F)N3Cc4cn[nH]c4C3	100000	nM
P27487	CHEMBL3216065	Cl.Cl.COc1ccc2ccccc2c1CN[C@@H]3CN[C@@H](C3)C(=O)N4Cc5ccccc5C4	100000	nM
P27487	CHEMBL3216276	Cl.Cl.N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)C1)C(=O)N4Cc5ccccc5C4	100000	nM
P27487	CHEMBL3216066	Cl.Cl.N[C@@H](CC(=O)N1CCN(Cc2ccc3ccccc3c2)CC1)C(=O)N4Cc5ccccc5C4	100000	nM
P27487	CHEMBL3127979	N[C@@H](Cc1cocc1)C(=O)N2CCC[C@H]2C#N	113600	nM
P27487	CHEMBL3112963	CO[C@@H]1CC[C@](CN)(CC1)c2ccccc2	60000	nM
P27487	CHEMBL3121246	CCOC(=O)c1c(O)cc(O)c2CCC(Oc12)c3ccc(O)cc3	113760	nM
P27487	CHEMBL3233555	Clc1cc(ccn1)C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233541	O=C(NC1(CC1)C(=O)N2CCC[C@H]2C#N)c3ccnc4ccccc34	100000	nM
P27487	CHEMBL3233546	CC(C)CCN(CC(=O)N1CCC[C@H]1C#N)C(=O)c2ccnc3ccccc23	100000	nM
P27487	CHEMBL3233564	Cn1cncc1C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233570	Nc1ccc(cc1)C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233841	F[C@@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2ccnc3ccccc23	100000	nM
P27487	CHEMBL3233845	FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2ccnc3cccc(C#N)c23	100000	nM
P27487	CHEMBL3233565	O=C(CNC(=O)c1cnn[nH]1)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233568	Cc1ncsc1C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233571	FC(F)(F)C(=O)Nc1ccc(cc1)C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233543	O=C(CN(C1CC1)C(=O)c2ccnc3ccccc23)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL3233548	CN(CC(=O)N1CCC[C@H]1C#N)Cc2ccnc3ccccc23	100000	nM
P27487	CHEMBL3233563	O=C(CNC(=O)c1ccnnc1)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233844	FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2ccnc3cccc(Br)c23	100000	nM
P27487	CHEMBL3233566	O=C(CNC(=O)c1ncn[nH]1)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233567	O=C(Cc1c[nH]cn1)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233559	COc1ccc(cc1OC)c2cc(ccn2)C(=O)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233540	C[C@H](NC(=O)c1ccnc2ccccc12)C(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233544	Clc1ccc(CN(CC(=O)N2CCC[C@H]2C#N)C(=O)c3ccnc4ccccc34)cc1	100000	nM
P27487	CHEMBL3233838	O=C(CNC(=O)c1ccnc2cccc(c3ccccc3)c12)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL3233840	F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2ccnc3ccccc23	100000	nM
P27487	CHEMBL3233547	COCCN(CC(=O)N1CCC[C@H]1C#N)Cc2ccnc3ccccc23	100000	nM
P27487	CHEMBL3233549	CN(CC(=O)N1CCC[C@H]1C#N)CC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233553	O=C(Cn1cc(nn1)c2cccc3ccccc23)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL3233557	Nc1cc(ccn1)C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233558	O=C(CNC(=O)c1ccnc(c1)c2ccccc2)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233572	O=C(CNC(=O)c1ccnc2[nH]ccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233562	O=C(CNC(=O)C1CCNCC1)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233556	Brc1cc(ccn1)C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233573	Fc1ccc(cc1)c2nc3c(ccnc3[nH]2)C(=O)NCC(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL3233835	Cc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12	100000	nM
P27487	CHEMBL3233848	ClCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c2ccnc3ccccc23	100000	nM
P27487	CHEMBL3233569	Cc1ncoc1C(=O)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233539	C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233552	O=C(CCc1cn(CC(=O)N2CCC[C@H]2C#N)nn1)N3Cc4ccccc4C3	100000	nM
P27487	CHEMBL3233542	CN(CC(=O)N1CCC[C@H]1C#N)C(=O)c2ccnc3ccccc23	100000	nM
P27487	CHEMBL3233837	O=C(CNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL3233839	COc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12	100000	nM
P27487	CHEMBL3233550	O=C(Cn1cc(nn1)c2ccccc2)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233538	OC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233545	COCCN(CC(=O)N1CCC[C@H]1C#N)C(=O)c2ccnc3ccccc23	100000	nM
P27487	CHEMBL3233836	O=C(CNC(=O)c1ccnc2cc(ccc12)c3ccccc3)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL3233574	COc1ccc(cc1)c2nc3c(ccnc3[nH]2)C(=O)NCC(=O)N4CCC[C@H]4C#N	100000	nM
P27487	CHEMBL3233575	O=C(CNC(=O)c1ccnc2ncnn12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233551	Fc1ccc(cc1)c2cn(CC(=O)N3CCC[C@H]3C#N)nn2	100000	nM
P27487	CHEMBL3233554	O=C(CNC(=O)c1ccncc1)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233833	O=C(CNC(=O)c1ccnc2cnccc12)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233834	Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233560	O=C(CNC(=O)c1ccnc(c1)c2ccc(cc2)C#N)N3CCC[C@H]3C#N	100000	nM
P27487	CHEMBL3233561	O=C(Cc1ccncc1)NCC(=O)N2CCC[C@H]2C#N	100000	nM
P27487	CHEMBL3233846	O=C(CNC(=O)c1ccnc2ccccc12)N3CCCC3	100000	nM
P27487	CHEMBL3233842	FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2ccnc3ccccc23	100000	nM
P27487	CHEMBL3233842	FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c2ccnc3ccccc23	100000	nM
P27487	CHEMBL3310990	N=CC(C(=O)c1ccccc1)c2ccccc2	100000	nM
P27487	CHEMBL3343905	CC#CC#CC#C\C=C\C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)C=C	100000	nM
P27487	CHEMBL3343904	CC#CC#CC#C\C=C\C=C\C(CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	100000	nM
P27487	CHEMBL3329695	COc1cc(N2CCC[C@@H](N)C2)c3N(Cc4ccccc4C#N)C(=O)N(C)c3n1	100000	nM
P27487	CHEMBL3329634	CN1C(=O)N(Cc2cccc(c2)C#N)c3c(ccnc13)N4CCC[C@@H](N)C4	88000	nM
P27487	CHEMBL3329700	CN1C(=O)N(Cc2ccccc2C#N)c3c(cc(nc13)C(=O)N)N4CCC[C@@H](N)C4	100000	nM
P27487	CHEMBL3329694	CN1C(=O)N(Cc2ccccc2C#N)c3c(ccnc13)N4CCC[C@H](N)C4	100000	nM
P27487	CHEMBL3329701	CN1C(=O)N(Cc2ccccc2C#N)c3c(cc(nc13)C(=O)O)N4CCC[C@@H](N)C4	100000	nM
P27487	CHEMBL3329699	CN1C(=O)N(Cc2ccccc2C#N)c3c(cc(CO)nc13)N4CCC[C@@H](N)C4	100000	nM
P27487	CHEMBL3329702	CN1C(=O)N(Cc2ccccc2C#N)c3c(cc(nc13)N4CCCC4)N5CCC[C@@H](N)C5	100000	nM
P27487	CHEMBL3329635	CN1C(=O)N(Cc2ccc(cc2)C#N)c3c(ccnc13)N4CCC[C@@H](N)C4	100000	nM
P27487	CHEMBL3329696	CN1C(=O)N(Cc2ccccc2C#N)c3c(cc(C)nc13)N4CCC[C@@H](N)C4	100000	nM
P27487	CHEMBL3329703	CN1C(=O)N(Cc2ccccc2C#N)c3c(cc(nc13)N4CCOCC4)N5CCC[C@@H](N)C5	100000	nM
P27487	CHEMBL3329640	CN1C(=O)N(Cc2ccccc2C#N)c3c(ccnc13)N4CC(N)C4	100000	nM
P27487	CHEMBL3329690	CN1C(=O)N(Cc2ccccc2C#N)c3c(NC4CCNCC4)ccnc13	100000	nM
P27487	CHEMBL3329693	CN1C(=O)N(Cc2ccccc2C#N)c3c(ccnc13)N4CCC[C@H](C4)NC(=O)C	100000	nM
P27487	CHEMBL3329698	CN1C(=O)N(Cc2ccccc2C#N)c3c(cc(nc13)C(F)(F)F)N4CCC[C@@H](N)C4	100000	nM
P27487	CHEMBL3329630	CN1C(=O)C(=O)N(Cc2ccccc2C#N)c3c(ccnc13)N4CCC[C@@H](N)C4	55000	nM
P27487	CHEMBL3329697	CCc1cc(N2CCC[C@@H](N)C2)c3N(Cc4ccccc4C#N)C(=O)N(C)c3n1	100000	nM
P27487	CHEMBL3215830	Cl.Cl.N[C@@H](CC(=O)N1C[C@H]2C[C@@H]1CN2C(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5Cc6ccccc6C5	100000	nM
P27487	CHEMBL3616898	CC#CCn1c(NCCNC(=O)C)nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12	100000	nM
P27487	CHEMBL3616910	CC#CCn1c(nc2N(C)C(=O)N(Cc3ccccn3)C(=O)c12)N4CCNC(=O)C4	100000	nM
P27487	CHEMBL3686741	OB(O)[C@@H]1CCCN1C(=O)CNCc2ccccc2	69000	nM
P27487	CHEMBL3616893	CCOc1nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c2n1CC#CC	100000	nM
P27487	CHEMBL3616897	CC#CCn1c(NCC(=O)N)nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12	100000	nM
P27487	CHEMBL3616892	CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCCCC5	100000	nM
P27487	CHEMBL3618137	COc1ccc(cc1)n2ncc3C(=O)N(C(=Nc23)C)c4nc(cs4)c5ccc(Cl)cc5	100000	nM
P27487	CHEMBL3616919	COc1nc(CN2C(=O)N(C)c3nc(N4CCNC(=O)C4)n(CCC=C(C)C)c3C2=O)nc5ccccc15	100000	nM
P27487	CHEMBL3616911	CC#CCn1c(nc2N(C)C(=O)N(Cc3cccnc3)C(=O)c12)N4CCNC(=O)C4	100000	nM
P27487	CHEMBL3616912	CC#CCn1c(nc2N(C)C(=O)N(Cc3ccncc3)C(=O)c12)N4CCNC(=O)C4	100000	nM
P27487	CHEMBL3616914	CN1C(=O)NC(=O)c2c1nc(N3CCNC(=O)C3)n2C	100000	nM
P27487	CHEMBL3616915	CC#CCn1c(nc2N(C)C(=O)NC(=O)c12)N3CCNC(=O)C3	100000	nM
P27487	CHEMBL3616916	COc1nc(CN2C(=O)N(C)c3nc(N4CCNC(=O)C4)n(C)c3C2=O)nc5ccccc15	100000	nM
P27487	CHEMBL3616917	COc1nc(CN2C(=O)N(C)c3nc(N4CCNC(=O)C4)n(CC#CC)c3C2=O)nc5ccccc15	100000	nM
P27487	CHEMBL3797441	N[C@@H](CC(=O)N1CCN(CC1)C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)N4C[C@H](C[C@H]4C#N)N=[N+]=[N-].OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL3797358	CCC1CCN(C1)C(=O)[C@@H](N)CC(=O)N2CCN(CC2)C(c3ccc(F)cc3)c4ccc(F)cc4.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL3797398	CC[C@@H](C)[C@H](N)C(=O)N1CCC(CC)C1.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL3798691	N[C@@H](CC(=O)N1CCN(CC1)C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)N4CCC(C4)C(F)(F)F	100000	nM
P27487	CHEMBL3800436	N[C@@H](CC(=O)N1CCN(CC1)C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)N4Cc5cn[nH]c5C4.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL3800132	CC[C@@H](C)[C@H](N)C(=O)N1Cc2cn[nH]c2C1.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL3798277	N[C@@H](CC(=O)N1CCN(CC1)C(c2ccc(F)cc2)c3ccc(F)cc3)C(=O)N4Cc5conc5C4.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL3800380	CC[C@@H](C)[C@H](N)C(=O)N1Cc2conc2C1.OC(=O)C(F)(F)F	56000	nM
P27487	CHEMBL3797355	Cc1nc2CN(Cc2s1)C(=O)[C@@H](N)CC(=O)N3CCN(CC3)C(c4ccc(F)cc4)c5ccc(F)cc5.OC(=O)C(F)(F)F	100000	nM
P27487	CHEMBL3797536	CC[C@@H](C)[C@H](N)C(=O)N1Cc2nc(C)sc2C1.OC(=O)C(F)(F)F	100000	nM
Q03181	CHEMBL206202	CC[C@@](C)(Cc1ccc(OCCCOc2ccc(CC(F)(F)F)cc2Cl)cc1)C(=O)O	70000	nM
Q03181	CHEMBL2323021	C[C@@H]1CN(CCN1S(=O)(=O)c2ccc(s2)[C@@](O)(C(=O)N)C(F)(F)F)c3ccc(F)cc3C(F)(F)F	100000	nM
Q03181	CHEMBL3264936	CCN1C(=NN(Cc2ccc(cc2)C(C)(C)C)C1=O)CCCc3ccc(cc3)c4ccc(NS(=O)(=O)c5ccc(cc5)c6ccc(OC)cc6)cc4	100000	nM
P49137	CHEMBL466701	C[C@@H](NC1=C(Nc2ccncc2)C(=O)C1=O)C3CCCCC3	65000	nM
P49137	CHEMBL467912	C[C@@H](N(C)C1=C(Nc2ccncc2)C(=O)C1=O)c3ccccc3	100000	nM
P49137	CHEMBL467729	CC(NC1=C(Nc2ccncc2)C(=O)C1=O)c3nccs3	81000	nM
P49137	CHEMBL512454	C[C@@H](NC1=C(Nc2ccncn2)C(=O)C1=O)c3ccccc3	100000	nM
P49137	CHEMBL199210	N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc4ccc(Sc5ccccc5)cc4	400000	nM
P49137	CHEMBL57481	Oc1cccc2cnccc12	85000	nM
P49137	CHEMBL178952	Nc1nc2Sc3ccccc3Cc2c(N)c1C#N	200000	nM
P49137	CHEMBL245461	COc1ccc2[nH]c3C(NC(CN(C)C)Cc3c2c1)C(=O)O	200000	nM
P49137	CHEMBL247344	COc1ccc2[nH]c3C(NCCc3c2c1C)C(=O)O	200000	nM
P49137	CHEMBL247343	COc1cc2c3CCNC(C(=O)O)c3[nH]c2cc1O	53000	nM
P49137	CHEMBL245503	COc1ccc2[nH]c3C(OCCc3c2c1)C(=O)O	200000	nM
P49137	CHEMBL371095	N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc4ccc(Oc5ccccc5)cc4	400000	nM
P49137	CHEMBL505335	C[C@@H](NC1=C(Nc2cccnc2)C(=O)C1=O)c3ccccc3	100000	nM
P49137	CHEMBL468321	C[C@@H](NC1=C(Nc2ccnc(Cl)c2)C(=O)C1=O)c3ccccc3	100000	nM
P49137	CHEMBL371658	N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc4ccc(Cc5ccccc5)cc4	400000	nM
P49137	CHEMBL466700	O=C1C(=O)C(=C1NCc2ccccc2)Nc3ccncc3	88000	nM
P49137	CHEMBL395409	COc1cccc2c3CCNC(C(=O)O)c3[nH]c12	200000	nM
P49137	CHEMBL246101	OC(=O)C1NCCc2c1[nH]c3ccccc23	87000	nM
P49137	CHEMBL437766	COc1ccc2[nH]c3C(N(CCc3c2c1)C(C)C)C(=O)O	170000	nM
P49137	CHEMBL396151	COc1ccc2[nH]c3c(CCNC3(C)C(=O)O)c2c1	200000	nM
P49137	CHEMBL248511	COc1ccc2[nH]c3C(CC(=O)O)NCCc3c2c1	200000	nM
P49137	CHEMBL247911	CCC1Cc2c([nH]c3ccc(OC)cc23)C(N1)C(=O)O	64000	nM
P49137	CHEMBL467913	C[C@@H](NC1=C(N(C)c2ccncc2)C(=O)C1=O)c3ccccc3	100000	nM
P49137	CHEMBL230654	CCCc1[nH]cnc1CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2	62700	nM
P49137	CHEMBL396163	COC(=O)c1nccc2c3cc(OC)ccc3[nH]c12	200000	nM
P49137	CHEMBL245705	COc1ccc2[nH]c3C(CN)NCCc3c2c1	200000	nM
P49137	CHEMBL248312	COc1ccc2[nH]c3C(NCCc3c2c1)C(=O)NO	88000	nM
P49137	CHEMBL248313	COc1ccc2[nH]c3C(NCCc3c2c1)c4nn[nH]n4	130000	nM
P49137	CHEMBL122617	Oc1cccc2ccccc12	100000	nM
P49137	CHEMBL280224	COc1ccc2[nH]c3c(nccc3c2c1)C(=O)O	200000	nM
P49137	CHEMBL245502	COc1ccc2[nH]c3C(CCCc3c2c1)C(=O)O	200000	nM
P49137	CHEMBL395133	COc1ccc2[nH]c3C(CO)NCCc3c2c1	200000	nM
P49137	CHEMBL512784	C[C@H](NC1=C(Nc2ccncc2)C(=O)C1=O)c3ccccc3	100000	nM
P49137	CHEMBL230761	Cn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1	87100	nM
P49137	CHEMBL200381	Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl	110000	nM
P49137	CHEMBL360278	CN1c2ccccc2Cc3c(N)c(C#N)c(N)nc13	70000	nM
P49137	CHEMBL245704	COc1ccc2[nH]c3C(NCCc3c2c1)C(=O)N	200000	nM
P49137	CHEMBL487191	CCCC1=CC(=O)c2c(CC3=CC(=CC(=O)O3)O)cccc2O1	130000	nM
P49137	CHEMBL397330	COc1ccc2[nH]c3C(NC(Cc3c2c1)C(F)(F)F)C(=O)O	200000	nM
P49137	CHEMBL180574	Nc1nc2c(Cc3ccccc3S2(=O)=O)c(N)c1C#N	200000	nM
P49137	CHEMBL524472	C[C@@H](NC1=C(Nc2ccn[nH]2)C(=O)C1=O)c3ccccc3	100000	nM
P49137	CHEMBL197538	Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl	400000	nM
P49137	CHEMBL559881	COC(=O)COc1ccc2sc3C(=O)N[C@H](C)CNc3c2c1	78000	nM
P49137	CHEMBL379849	Fc1ccccc1\C=C\2/CNC\C(=C/c3ccccc3F)\C2=O	100000	nM
P49137	CHEMBL247342	COc1ccc2c3CCNC(C(=O)O)c3[nH]c2c1	200000	nM
P49137	CHEMBL437554	CC(=O)Oc1ccc2[nH]c3C(NCCc3c2c1)C(=O)O	170000	nM
P49137	CHEMBL248164	COc1ccc2[nH]c3C(N(Cc4ccccc4)CCc3c2c1)C(=O)O	130000	nM
P49137	CHEMBL248512	COc1ccc2c(c1)c3CCNC(C(=O)O)c3n2C	200000	nM
P49137	CHEMBL2338335	CN1C[C@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
P49137	CHEMBL2338334	CN1C[C@@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
P49137	CHEMBL3706772	CCNc1cc2Oc3cc(O)c(O)cc3Cc2c(NCC)c1C#N	200000	nM
P49137	CHEMBL3706773	Nc1cc2Oc3cc4OCCOc4cc3Cc2c(N)c1C#N	55700	nM
P49137	CHEMBL3706774	Nc1ccc2Oc3cc(N)c(C#N)c(N)c3Cc2c1	100000	nM
P49137	CHEMBL3706775	Nc1cc2Oc3ccccc3Cc2c(N)c1C#N	100000	nM
P49137	CHEMBL3706777	Nc1cc2Oc3cc(O)cc(O)c3Cc2c(N)c1C#N	100000	nM
P49137	CHEMBL3706780	COc1ccc2C(c3ccccc3)c4c(Oc2c1)cc(N)c(C#N)c4N	200000	nM
P49137	CHEMBL3706787	Nc1cc2Oc3cc(O)ccc3C(c4ccccc4)c2c(N)c1C#N	200000	nM
P49137	CHEMBL3706770	COc1cc2Cc3c(N)c(C#N)c(N)cc3Oc2cc1OC	64800	nM
P78536	CHEMBL1723427	COc1ccc(cc1)S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2	69513	nM
P78536	CHEMBL1700254	OCCN(Cc1ccccc1)C(=O)C[C@@H](CC=C)C(=O)NC[C@@H](OC(=O)[C@@H](CCC=C)Cc2ccc(F)cc2)c3ccccc3	69520	nM
P78536	CHEMBL1709472	C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc4ccc(NC(=O)Nc5ccc(F)cc5)cc4C1=O	69513	nM
P78536	CHEMBL1730548	COC(=O)c1ccc(CN2C(=O)C(C)N(C(=O)c3c(F)cccc3F)c4ccccc24)cc1	69509	nM
P78536	CHEMBL1356476	O=C(NCC1COc2ccccc2O1)c3cccc(c3)S(=O)(=O)N4CCN(CC4)c5ccccc5	69504	nM
P78536	CHEMBL1322496	Clc1ccc(cc1)c2cc(C(=O)NNC(=O)c3csc(n3)N4CCOCC4)c5ccccc5n2	69502	nM
P78536	CHEMBL1721815	COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCc3cccc(c3)C(F)(F)F)c4ccc(F)cc4OCc5ccccc5	69520	nM
P78536	CHEMBL1302410	CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c2csc3ccccc23)C(=O)Nc4ccccc4	69504	nM
P78536	CHEMBL1545173	COc1ccccc1\C=C\C2N3C(=O)CCSC3=NC(=C2C(=O)OCC(C)C)C	69520	nM
P78536	CHEMBL1361996	COc1ccc(cc1OC)c2c[nH]nc2c3ccc(OCc4ccccc4)cc3O	69534	nM
P78536	CHEMBL1541177	COc1ccccc1NC(=O)c2c(N)c(sc2Nc3ccccc3C)C(=O)Nc4cccc(Cl)c4	69534	nM
P78536	CHEMBL1541177	COc1ccccc1NC(=O)c2c(N)c(sc2Nc3ccccc3C)C(=O)Nc4cccc(Cl)c4	69534	nM
P78536	CHEMBL1534873	CC(OC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc12)C(=O)Nc3cc(Cl)cc(Cl)c3	69513	nM
P78536	CHEMBL1331598	NC(=O)[C@H]1CC2(CN1C(=O)C(c3ccccc3)c4ccccc4)CC(=NO2)c5cccc(NC(=O)COc6ccc(Cl)cc6)c5	69527	nM
P78536	CHEMBL1422155	[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N2CCC(CC2)C(=O)Nc3nc4ccc(F)cc4s3	69513	nM
P78536	CHEMBL1534147	CC(SC1=Nc2ccccc2C(=O)N1c3cc(C)cc(C)c3)C(=O)NCc4ccc5OCOc5c4	69513	nM
P78536	CHEMBL1416769	Clc1cccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1	69513	nM
P78536	CHEMBL1580116	[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)c4ccccc4	69520	nM
P78536	CHEMBL1440953	Clc1cccc2c(Br)ccc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)c12	69520	nM
P78536	CHEMBL1605622	Cc1ccccc1N=C(NOCc2ccc(Cl)cc2Cl)c3nonc3N	69520	nM
P78536	CHEMBL1561240	COc1ccc(CCN2C(c3cccc(Cl)c3)c4c(n[nH]c4C2=O)c5ccccc5O)cc1	69511	nM
P78536	CHEMBL1453900	Cc1ccc(cc1)C(=O)Nc2nnc(N=C(S)Nc3ccccc3)s2	69498	nM
P78536	CHEMBL1313561	FC(F)Oc1ccccc1NC(=O)COC(=O)c2cccc(NS(=O)(=O)\C=C\c3ccccc3)c2	69527	nM
P78536	CHEMBL1482044	Clc1cccc(C(=O)OCc2cnc(Cl)s2)c1Cl	69569	nM
P78536	CHEMBL1390546	Cc1cc(C)c(CSc2nc(c[nH]2)c3ccc(cc3)[N+](=O)[O-])c(C)c1	69520	nM
P78536	CHEMBL1586817	CCCOC(=O)c1ccc(Oc2c[nH]nc2c3ccc(OCC)cc3O)cc1	69493	nM
P78536	CHEMBL1339991	FC(F)(F)c1cnc(CONC(=O)N=CNOCc2ccc(Cl)cc2Cl)c(Cl)c1	69511	nM
P78536	CHEMBL1515387	COC(=O)c1ccc(cc1)C2=Cc3onc(c4ccccc4)c3C(=O)N2C	69541	nM
P78536	CHEMBL1471547	CCOC(=O)c1c(NC(=O)CSc2nncs2)scc1c3ccccc3	69513	nM
P78536	CHEMBL1395386	COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCc3ccc(cc3)C(C)(C)C)c4ccccc4OCc5ccccc5	69501	nM
P78536	CHEMBL1350803	CN(c1ccc(OCc2ccc(cc2)[N+](=O)[O-])cc1)S(=O)(=O)c3ccccc3	69497	nM
P78536	CHEMBL1428817	CC(OC(=O)c1cc(O)nc2ccc(cc12)S(=O)(=O)Nc3cccc(C)c3)C(=O)Nc4ccc(cc4)[N+](=O)[O-]	69527	nM
P78536	CHEMBL1336954	COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCc3ccc(Cl)cc3)c4ccccc4OCc5ccccc5	69513	nM
P78536	CHEMBL1472578	COc1ccc(c(O)c1C)c2[nH]nc(C)c2c3cnn(c3)c4ccccc4	69520	nM
P78536	CHEMBL1609332	Oc1ccc(Cl)cc1c2cc([nH]n2)c3cccc(Br)c3	69498	nM
P78536	CHEMBL1548517	CCN1C(=S)N\C(=C/c2ccc(C)s2)\C1=O	69548	nM
P78536	CHEMBL1567029	FC(F)(F)c1cc(CCN2[C@@H](Cc3ccccc3)CN=C2S)cc(c1)C(F)(F)F	69513	nM
P78536	CHEMBL1471418	Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c3ccc(Cl)c(c3)[N+](=O)[O-])c(C)c1	69527	nM
P78536	CHEMBL1463761	CCCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)Nc2ccc(F)c(F)c2F	69527	nM
P78536	CHEMBL1524336	CCOc1cccc(OCCOc2ccc(cc2)C(=O)c3ccccc3)c1	69511	nM
P78536	CHEMBL1526184	[O-][N+](=O)c1ccc(cc1)[C@H]2[C@@H](N(N=C2c3ccccc3)c4ccc(Br)cc4)C(=O)N5CCOC5=O	69509	nM
P78536	CHEMBL1575996	Cc1ccccc1CN(c2ccc(cc2)C(=O)Nc3ccccc3C(=O)NCc4occc4)S(=O)(=O)C	69506	nM
P78536	CHEMBL1309498	NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2OCc3ccccc3F)cc1	69527	nM
P78536	CHEMBL1421192	Brc1ccc(CN2CCc3c(OCC(=O)N4CCCc5ccccc45)cccc3C2=O)cc1	69534	nM
P78536	CHEMBL1536759	Cc1ccc(NC(=O)NNC(=O)CN2N=C(C(=C(C#N)C2=O)c3ccccc3)c4ccccc4)cc1	69495	nM
P78536	CHEMBL1444205	COc1ccccc1NC(=O)CN(c2ccc(cc2)C34CC5CC(CC(C5)C3)C4)S(=O)(=O)C	69513	nM
P78536	CHEMBL1506571	COc1cc(\C=C(/C#N)\c2ccccn2)ccc1OCc3ccccc3	69520	nM
P78536	CHEMBL1309874	Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1	69520	nM
P78536	CHEMBL1581655	CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[nH]cnc1C(=O)NC(c2ccccc2)c3ccccc3)C(=O)OC(C)(C)C	69505	nM
P78536	CHEMBL1556258	COc1ccc2c(c1)c(CC(=O)Nc3ccc(cc3)C(=O)C)c(C)n2C(=O)c4ccc(Cl)cc4	69534	nM
P78536	CHEMBL1576810	Cc1cccc(OCCNC(=O)c2cccc(Oc3ccc(cc3[N+](=O)[O-])C(F)(F)F)c2)c1	69507	nM
P78536	CHEMBL1376585	Cc1oc(C)c(c1)C(=O)OC(C(=O)Nc2ccc(C)cc2)c3ccccc3	69498	nM
P78536	CHEMBL1320796	CCCOc1ccc(NC(=O)CC2N(Cc3cccs3)C(=S)N(Cc4ccccc4)C2=O)cc1	69555	nM
P78536	CHEMBL1338171	Cc1oc(cc1)C(N(Cc2ccccc2)C(=O)Cc3c[nH]c4ccccc34)C(=O)NC5CCCCC5	69534	nM
P78536	CHEMBL1426168	Clc1ccc(cc1S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)Nc3ccccc3	69502	nM
P78536	CHEMBL1319368	CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc4nc(C)sc4c3	69520	nM
P78536	CHEMBL1411359	COc1cc(OC)cc(c1)c2c[nH]nc2N	69468	nM
P78536	CHEMBL1598969	CCN(CC)c1ccc(NC(=O)COc2ccccc2C)cc1S(=O)(=O)Nc3ccccc3OC	69506	nM
P78536	CHEMBL1607681	COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)c3cc([nH]n3)c4cccc5ccccc45	69527	nM
P78536	CHEMBL1421764	Cc1cccc(NS(=O)(=O)c2cc(ccc2C)C(=O)Nc3ccccc3c4ccccc4)c1C	69511	nM
P78536	CHEMBL1486739	COc1ccc(cc1)C(Nc2cc(C)ccn2)c3ccc4ccc(C)nc4c3O	69520	nM
P78536	CHEMBL373311	CC1(C(=O)NC(=O)NC1=O)c2ccc(OCc3ccccc3)cc2	100000	nM
P78536	CHEMBL270296	N[C@@H]1CCCC[C@H]1NC(=O)P(=O)(O)O	100000	nM
P78536	CHEMBL1557691	O=C(NCC1CCCO1)C(N(Cc2ccccc2)C(=O)c3ccc([nH]3)c4ccccc4)c5cccs5	69520	nM
P78536	CHEMBL1557691	O=C(NCC1CCCO1)C(N(Cc2ccccc2)C(=O)c3ccc([nH]3)c4ccccc4)c5cccs5	69513	nM
P78536	CHEMBL1511607	Clc1ccccc1N2C(=O)c3ccccc3N=C2SCC(=O)Nc4cccc(c4)S(=O)(=O)N5CCOCC5	69488	nM
P78536	CHEMBL1581141	Cc1cccc(Oc2cc(NC(=O)c3ccccc3)cc(c2)[N+](=O)[O-])c1	69520	nM
P78536	CHEMBL1313030	C\C(=C/c1ccccc1)\C=C\2/SC(=O)N(CC(=O)Nc3cccc(O)c3)C2=O	69511	nM
P78536	CHEMBL1531151	CC(=O)Oc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)c3ccc(C)c(C)c3	69503	nM
P78536	CHEMBL1597320	COc1cc(SC)ccc1C(=O)NCCOc2ccc(C)c(C)c2	69520	nM
P78536	CHEMBL1583419	Cc1ccc(cc1)S(=O)(=O)N(CCCO)CC(O)CON=C2c3ccccc3c4ccccc24	69511	nM
P78536	CHEMBL1602836	COc1ccc(NC(=Nc2nc(CC(=O)Nc3ccccc3OC)cs2)S)cc1	69520	nM
P78536	CHEMBL1470331	FC(F)Oc1ccc(\C=C\C(=O)OCC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3)cc1	69513	nM
P78536	CHEMBL206815	CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c2ccc(OCC#CCO)cc2	300000	nM
P78536	CHEMBL1385686	CC1CCc2c(C1)scc2c3nnc(S)n3CC=C	69449	nM
P78536	CHEMBL1449661	CC(=O)c1cccc(NC(=O)C(OC(=O)c2ccccc2NS(=O)(=O)c3cccs3)c4ccccc4)c1	69534	nM
P78536	CHEMBL1449661	CC(=O)c1cccc(NC(=O)C(OC(=O)c2ccccc2NS(=O)(=O)c3cccs3)c4ccccc4)c1	69534	nM
P78536	CHEMBL1543659	O=C(COC(=O)CCCSc1nc2ccccc2[nH]1)Nc3ccc(Oc4ccccc4)cc3	69513	nM
P78536	CHEMBL1454956	Cc1cc(C)n(CCc2nc(cs2)c3ccc(cc3)C(C)(C)C)n1	69513	nM
P78536	CHEMBL1565496	Clc1ccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c3ccccc3)cc1	69511	nM
P78536	CHEMBL1318620	Clc1ccc(NC(CNS(=O)(=O)c2ccccc2)c3ccccc3)cc1	69505	nM
P78536	CHEMBL1556968	FC(F)(F)Oc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c4cccs4)cc1	69506	nM
P78536	CHEMBL1608318	Clc1ccc(SCC(=O)N2CCC(CC2)c3nc4ccccc4s3)c(Cl)c1	69527	nM
P78536	CHEMBL1608318	Clc1ccc(SCC(=O)N2CCC(CC2)c3nc4ccccc4s3)c(Cl)c1	69527	nM
P78536	CHEMBL1500199	CC(=O)c1ccc(N2CCC(CC2)c3cc([nH]n3)c4ccc(Cl)cc4Cl)c(c1)[N+](=O)[O-]	69498	nM
P78536	CHEMBL1505209	Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc2ccc3CCc4cccc2c34	69500	nM
P78536	CHEMBL1464485	Cc1cc(C)c(cc1C)c2cc(NC(=O)COC(=O)c3ccc(cc3)C#N)n(n2)c4ccccc4	69527	nM
P78536	CHEMBL228230	CCCCC(NOCc1ccccc1)C(=O)NO	100000	nM
P78536	CHEMBL1510525	CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NC(c2ccccc2)c3ccccc3)C(=O)OCc4ccccc4	69513	nM
P78536	CHEMBL270083	N[C@H]1CCCC[C@H]1NC(=O)P(=O)(O)O	100000	nM
P78536	CHEMBL1315135	COc1ccc(S[C@@H](CCN2CC[C@H](C)CCC2=O)c3ccccc3)cc1	69520	nM
P78536	CHEMBL1526021	O=C1CC(Nc2ccc3ccccc3c2)C(=O)N1Cc4ccccc4	69520	nM
P78536	CHEMBL1438983	OC(CNCC(c1ccc(Cl)cc1Cl)c2c[nH]c3ccccc23)c4ccccc4	69499	nM
P78536	CHEMBL1412708	NC(=O)[C@@H]1CC2(CN1C(=O)c3ccc(Cl)cc3)CC(=NO2)c4cccc(NC(=O)CC(c5ccccc5)c6ccccc6)c4	69512	nM
P78536	CHEMBL1509189	Cc1cccc(c1)C2(OC(=O)c3ccccc23)c4cccc(C)c4	69534	nM
P78536	CHEMBL1411044	COc1cc(ccc1OCc2ccc(cc2)N(=O)=O)C(c3c(C)n[nH]c3O)c4c(C)n[nH]c4O	69520	nM
P78536	CHEMBL1479411	Clc1ccc(NC(C2CCCCC2=O)c3ccccc3)cc1	69504	nM
P78536	CHEMBL1391541	Nc1cc(Cl)ccc1Oc2ccc3ccccc3c2	69520	nM
P78536	CHEMBL567341	CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N	74131.02	nM
P78536	CHEMBL1309608	NC(=O)[C@@H]1CC2(CN1C(=O)COc3ccc(Cl)cc3)CC(=NO2)c4cccc(NC(=O)CC(c5ccccc5)c6ccccc6)c4	69511	nM
P78536	CHEMBL1362333	CN(C)c1ccc(NC(=O)c2cn(nc2c3cccs3)c4ccccc4)cc1	69520	nM
P78536	CHEMBL1610356	CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(nn2c3cccc(Cl)c3)c4cccs4)c1	69489	nM
P78536	CHEMBL1363615	CC(C)(C)c1ccc(OCc2onc(n2)c3ccccn3)c(Br)c1	69513	nM
P78536	CHEMBL1452546	OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)Nc3ccccc3)C4CCCCC4)cc1	69499	nM
P78536	CHEMBL1515432	[O-][N+](=O)c1ccc(cc1)[C@H]2[C@@H](N(N=C2c3ccc(F)cc3)c4ccc(Br)cc4)C(=O)N5CCOC5=O	69488	nM
P78536	CHEMBL1583727	COc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c3c(C)noc3\C=C\N(C)C)cc1	69497	nM
P78536	CHEMBL1331328	COc1ccccc1Nc2ccc(NC(=O)c3cccc(c3C)[N+](=O)[O-])cc2	69505	nM
P78536	CHEMBL1608077	Cc1cccc(N2CCN(CC2)C(=O)c3oc(CS(=O)(=O)c4ccccc4C)cc3)c1C	69590	nM
P78536	CHEMBL573714	COc1ccc(cc1)S(=O)(=O)c2ccccc2CC(=O)NO	67000	nM
P78536	CHEMBL572982	OC(CCc1ccc(cc1)c2ccccc2)CC(=O)O	98000	nM
P78536	CHEMBL572982	OC(CCc1ccc(cc1)c2ccccc2)CC(=O)O	98000	nM
P78536	CHEMBL572982	OC(CCc1ccc(cc1)c2ccccc2)CC(=O)O	98000	nM
P78536	CHEMBL1493030	CN(Cc1ccc(F)cc1)C(=O)c2cccc(OCc3ccccc3)c2	69520	nM
P78536	CHEMBL1338847	COc1cccc(c1)C(=O)NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2	69499	nM
P78536	CHEMBL1733010	OCCN(Cc1ccccc1)C(=O)C[C@@H](CC=C)C(=O)N[C@@H](COC(=O)[C@H](CCC=C)Cc2ccc(F)cc2)Cc3c[nH]c4ccccc34	69491	nM
P78536	CHEMBL1712902	OCCN(Cc1ccccc1)C(=O)C[C@@H](CC=C)C(=O)N[C@@H](COC(=O)[C@@H](CCC=C)Cc2ccc(F)cc2)Cc3c[nH]c4ccccc34	69527	nM
P78536	CHEMBL456230	CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c3ccccc3OS(=O)(=O)c4ccccc4[N+](=O)[O-]	69481	nM
P78536	CHEMBL1306182	Cc1ccccc1c2oc(NCc3cccnc3)c(n2)S(=O)(=O)c4ccc(Br)cc4	69508	nM
P78536	CHEMBL1498140	CCN1N=C(C(=O)OC(C(=O)c2c[nH]c3ccccc23)c4ccccc4)c5ccccc5C1=O	69541	nM
P78536	CHEMBL1359055	Cc1ccccc1c2nnn(Cc3ccc(F)cc3Cl)n2	69513	nM
P78536	CHEMBL1375577	CCOc1ccc(c(O)c1)c2[nH]ncc2c3ccc(Cl)cc3	69459	nM
P78536	CHEMBL1303628	CCOc1cc2C(=CC(C)(C)N3C(=O)C4(C(=C(N)Oc5cc(O)ccc45)C#N)c(c1)c23)C	69534	nM
P78536	CHEMBL1342518	CCc1ccc(cc1)c2cn(C3CCCCC3)c(S)n2	69490	nM
P78536	CHEMBL1536053	CCOC(=O)c1cc(OC(=O)c2ccccc2OC)n(n1)c3ccccc3	69548	nM
P78536	CHEMBL1447828	CN(C)c1ccc(NC(=O)c2oc(COc3cccc(Cl)c3)cc2)cc1	69541	nM
P78536	CHEMBL1342393	Brc1cccc(c1)c2csc(NC(=O)CSc3nc4ccccc4[nH]3)n2	69499	nM
P78536	CHEMBL1360018	FC(F)(F)c1cccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N4CCCC4)c1	69512	nM
P78536	CHEMBL1490638	O=C(CCN1C=Nc2ccccc2C1=O)Nc3oc(c4ccccc4)c(c5ccccc5)c3C#N	69513	nM
P78536	CHEMBL1701427	[Cl-].O=C(C[n+]1ccccc1)Nc2nc3ccccc3s2	69510	nM
P78536	CHEMBL1314100	COc1ccc(cc1)c2c(C)n[nH]c2c3ccc(OCC(=C)C)cc3O	69562	nM
P78536	CHEMBL1542473	CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(c2)S(=O)(=O)N3CCc4ccccc4C3)c1	69534	nM
P78536	CHEMBL1311730	CSc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1	69520	nM
P78536	CHEMBL1344800	Cc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1	69509	nM
P78536	CHEMBL1492021	OC(CN(c1ccccc1)S(=O)(=O)c2ccccc2)Cn3c4ccccc4c5ccccc35	69527	nM
P78536	CHEMBL1540477	COc1ccc(cc1)c2c[nH]nc2c3ccc(OCc4ccccc4)cc3O	69520	nM
P78536	CHEMBL1568078	COc1ccc(NC(=Nc2cc([nH]n2)c3ccccc3)S)cc1Cl	69511	nM
P78536	CHEMBL1336678	CN(c1c(C)ccc(c1C)S(=O)(=O)N2CCN(CC(=C)C)CC2)S(=O)(=O)c3ccc(C)cc3	69513	nM
P78536	CHEMBL1383622	CN(C)c1ccc(cc1)C(CNS(=O)(=O)c2ccc(F)cc2)c3c[nH]c4ccccc34	69513	nM
P78536	CHEMBL1505089	Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)c4ccccc4	69520	nM
P78536	CHEMBL1455024	CCc1ccc(NC(=O)c2ccc(F)c(c2)S(=O)(=O)NCC3COc4ccccc4O3)cc1	69520	nM
P78536	CHEMBL1579548	Clc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc4CCCCc4s3)c2)cc1	69500	nM
P78536	CHEMBL1353829	COc1ccccc1N(CC=C)S(=O)(=O)c2cccc(c2)C(=O)OCC(=O)c3c[nH]c4ccccc34	69488	nM
P78536	CHEMBL1731138	OC[C@H](Cc1ccccc1)NC(=O)C[C@H](CC=C)C(=O)N[C@H](COC(=O)[C@H](CCC=C)Cc2ccc(F)cc2)Cc3c[nH]c4ccccc34	69527	nM
P78536	CHEMBL1731138	OC[C@H](Cc1ccccc1)NC(=O)C[C@H](CC=C)C(=O)N[C@H](COC(=O)[C@H](CCC=C)Cc2ccc(F)cc2)Cc3c[nH]c4ccccc34	69520	nM
P78536	CHEMBL1390102	CCN(CC)c1ccc(NC(=O)COC(=O)CSc2ccc(Br)cc2C)cc1.OS(=O)(=O)O	69502	nM
P78536	CHEMBL1725768	COc1ccc(CN([C@H](CO)CC(C)C)S(=O)(=O)N(Cc2ccccc2)[C@H](CO)CC(C)C)cc1	69493	nM
P78536	CHEMBL1374970	Br.Nc1nc(c2ccccc2)c(N=Nc3ccccc3Cl)s1	69520	nM
P78536	CHEMBL1383693	Cl.Fc1ccc(cc1)C(CNC(=O)c2oc(Br)cc2)N3CCOCC3	69496	nM
P78536	CHEMBL1707447	CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(s2)S(=O)(=O)N3CCOCC3)ccc1Cl	69505	nM
P78536	CHEMBL561625	CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2	53000	nM
P78536	CHEMBL1594922	Cc1cc(Nc2ccc(Cl)cc2)n(n1)c3cccc(Cl)c3	69501	nM
P78536	CHEMBL1367596	Cc1ccc(cc1)C(=O)C2C(C3CSCN3[C@@]24C(=O)Nc5ccc(C)cc45)c6cccc(c6)[N+](=O)[O-]	69507	nM
P78536	CHEMBL1367525	O=C(NC(=S)Nc1ccc2OCCOc2c1)c3cccc4ccccc34	69509	nM
P78536	CHEMBL1529744	COc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCC4)c(cc2c1)C#N	69511	nM
P78536	CHEMBL1360535	CC1(C)Oc2ccc3C[C@H](COc3c2C=C1)c4ccc(O)cc4O	69509	nM
P78536	CHEMBL1545902	N=C1N(Cc2occc2)C=NC3=C1C(c4ccccc4)c5c(O3)ccc6ccccc56	69513	nM
P78536	CHEMBL1373985	COc1ccc(cc1O)C(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45	69513	nM
P78536	CHEMBL1538323	COc1cccc(c1)C2C3=C(OC(=C2C#N)N)C(=O)C=C(CO)O3	69527	nM
P78536	CHEMBL1325375	Cc1cc(Oc2ccccc2)nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n1	69505	nM
P78536	CHEMBL1579173	N=C1N2C(=NC(=O)/C/1=C\c3cccn3CCOc4ccccc4)SC=C2c5ccccc5	69527	nM
P78536	CHEMBL1414873	COc1ccccc1Oc2c(C)n[nH]c2c3ccc(OCC(=C)C)cc3O	69479	nM
P78536	CHEMBL1548862	S=C(NC1CCCCCC1)Nc2ccc(Nc3ccccc3)cc2	69513	nM
P78536	CHEMBL1602082	NC(=O)[C@H]1CC2(CN1C(=O)CC(c3ccccc3)c4ccccc4)CC(=NO2)c5cccc(NC(=O)CC(c6ccccc6)c7ccccc7)c5	69520	nM
P78536	CHEMBL1415308	[O-][N+](=O)c1cc(ccc1N2CCN(CC2)c3ccccc3)S(=O)(=O)Nc4ccccc4	69513	nM
P78536	CHEMBL1568895	O=C(N1CCC2(CC1)OCCO2)c3cc4CCCCCCc4s3	69500	nM
P78536	CHEMBL1323869	COc1ccc(cc1)C2CC(O)(Oc3c(C)ccc(C)c23)c4ccccc4	69459	nM
P78536	CHEMBL1451666	Cc1csc(n1)c2cnn(c2NC(=O)c3ccc(cc3)C(F)(F)F)c4ccccc4	69498	nM
P78536	CHEMBL1598365	Clc1ccc(cc1)C2N(CCc3c2[nH]c4ccccc34)C(=O)c5cccs5	69520	nM
P78536	CHEMBL1598365	Clc1ccc(cc1)C2N(CCc3c2[nH]c4ccccc34)C(=O)c5cccs5	69520	nM
P78536	CHEMBL1515214	Cc1ccc(cc1NC(=O)CNc2ccc(cc2)C(F)(F)F)S(=O)(=O)N3CCCCC3	69520	nM
P78536	CHEMBL1372805	Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)C3CCCCC3)c2)cc1Cl	69534	nM
P78536	CHEMBL1340694	O=S(=O)(N1CCOCC1)c2ccc(NC(=S)NCCC(c3ccccc3)c4ccccc4)cc2	69489	nM
P78536	CHEMBL1369724	Cc1cccc(C)c1OCC(O)Cn2c3ccccc3c4ccccc24	69500	nM
P78536	CHEMBL1433203	O=C(Nc1c(C#N)c(c2ccccc2)c(c3ccccc3)n1Cc4occc4)c5cccs5	69495	nM
P78536	CHEMBL1341108	FC(F)C(F)(F)COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(F)(F)F	69500	nM
P78536	CHEMBL1448276	CCc1cc(C(=O)OC)c(NC(=O)C2CC(=O)NN2Cc3ccccc3)s1	69500	nM
P78536	CHEMBL1510469	COc1ccc(cc1)C(CC(=O)c2ccc(C)cc2)Nc3ccc(cc3)[N+](=O)[O-]	69500	nM
P78536	CHEMBL1521021	NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2OCc3ccc(F)cc3)cc1	69513	nM
P78536	CHEMBL1302531	Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3oc(Br)cc3)cc2)c1	69511	nM
P78536	CHEMBL1386280	COc1cc(OC)c(cc1Cl)N(C)S(=O)(=O)c2cccc(c2)C(=O)OCC(=O)c3c[nH]c4ccccc34	69520	nM
P78536	CHEMBL1346062	CN(C)c1ccc(cc1)C(CNS(=O)(=O)c2ccc(F)c(F)c2)c3c[nH]c4ccccc34	69511	nM
P78536	CHEMBL1430686	Clc1ccc(OCCOCCOc2cccc3cccnc23)c(Br)c1	69493	nM
P78536	CHEMBL1369666	Clc1ccc(C(=O)N\C(=C/c2ccc3OCOc3c2)\C(=O)NCCc4nc5ccccc5[nH]4)c(Cl)c1	69534	nM
P78536	CHEMBL1313887	Clc1ccc(cc1)C(=O)OCc2csc(Nc3ccccc3)n2	69501	nM
P78536	CHEMBL1382277	COc1ccccc1c2c[nH]nc2c3ccc(OCC(=C)C)cc3O	69513	nM
P78536	CHEMBL1600415	Cc1ccc(cc1)n2c(S)nnc2C3CC3c4ccc(Cl)cc4	69548	nM
P78536	CHEMBL1379134	Cc1cccc(OCC(=O)NNC(=O)C2=Cc3ccccc3OC2=O)c1	69504	nM
P78536	CHEMBL1387761	CC(=O)n1cc([C@H]2C[C@@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)Nc4ccccc4)c5ccccc15	69511	nM
P78536	CHEMBL1450537	COc1ccc(cc1)S(=O)(=O)Nc2cc3c4C(=O)CC(C)(C)Cc4oc3c5ccccc25	69513	nM
P78536	CHEMBL1505057	Cn1cc(cc1C(=O)NN=C(N)COc2ccc(Cl)cc2Cl)C(=O)c3ccc(Cl)cc3Cl	69534	nM
P78536	CHEMBL1701083	CC(C)(C)OC(=O)N1CCCC(C1)C(=O)Nc2cccc(c2)C(=O)NCCCCc3ccccc3	69506	nM
P78536	CHEMBL1713735	OCCN(Cc1ccccc1)C(=O)C[C@H](CC=C)C(=O)N[C@@H](COC(=O)[C@H](CCC=C)Cc2ccc(F)cc2)Cc3c[nH]c4ccccc34	69493	nM
P78536	CHEMBL1444345	CCOC(=O)c1sc(NC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)cc1C	69511	nM
P78536	CHEMBL1728523	CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)NC1c3ccc4ccccc4c3	69534	nM
P78536	CHEMBL1698535	COc1ccc(Cn2cc(CN3CCS(=O)(=O)N(Cc4ccc(cc4)c5cccc(Cl)c5)C(C)C3=O)nn2)cc1	69527	nM
P78536	CHEMBL1731789	COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCCOc3ccc(OC)cc3)c4cccc(OCc5ccccc5)c4	69520	nM
P78536	CHEMBL1585546	Cc1cccc(N2CCN(CC2)C(=O)c3oc(C[S+]([O-])Cc4ccc(Cl)cc4)cc3)c1C	69489	nM
P78536	CHEMBL1517266	CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)C(=O)OC(C)C(=O)Nc3ccc4OCCOc4c3	69520	nM
P78536	CHEMBL1544580	Cc1ccc(C)c(c1)S(=O)(=O)N2CCC(CC2)c3nc(O)c4nnn(Cc5ccc6OCCOc6c5)c4n3	69507	nM
P78536	CHEMBL1538808	Oc1cccc(c1)C(=O)OCc2ccc(cc2)c3ccccc3	69520	nM
P78536	CHEMBL28678	ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c2ccc(OCc3cccc(c3)C#N)cc2	63000	nM
P78536	CHEMBL1500131	Nc1cc(OC(=O)c2c(F)cccc2Cl)nn1S(=O)(=O)c3ccccc3	69502	nM
P78536	CHEMBL1339121	CC(C)(C)c1ccc(cc1)c2cc([nH]n2)c3ccccc3O	69555	nM
P78536	CHEMBL1326671	COCCOc1ccc(cc1NC(=O)CN2C(=O)NC(C)(C2=O)c3ccc4OCOc4c3)C(F)(F)F	69498	nM
P78536	CHEMBL1335571	Cc1ccccc1c2noc(n2)c3ccc(O)cc3	69500	nM
P78536	CHEMBL1705776	CCc1cc(Cn2nc(cc2C(=O)NCc3cccc(Br)c3)c4ccccc4)on1	69507	nM
P78536	CHEMBL1716263	OCCN(Cc1ccccc1)C(=O)C[C@H](CC=C)C(=O)N[C@H](COC(=O)[C@@H](CC=C)Cc2ccc(F)cc2)Cc3c[nH]c4ccccc34	69534	nM
P78536	CHEMBL1706451	OC[C@H](Cc1ccccc1)NC(=O)C[C@@H](CC=C)C(=O)N2CCC[C@H]2COC(=O)[C@@H](CCC=C)Cc3ccc(F)cc3	69509	nM
P78536	CHEMBL1511563	C[C@H](NC(=O)c1[nH]cnc1C(=O)NC(c2ccccc2)c3ccccc3)C(=O)OCc4ccccc4	69513	nM
P78536	CHEMBL1704794	CC(C)CC1N(Cc2ccc(cc2)c3c(C)cccc3C)S(=O)(=O)CCN(Cc4cn(CCO)nn4)C1=O	69501	nM
P78536	CHEMBL1568525	CC1(O)N(Cc2ccccc2)C(=O)OC13CCCCC3	69501	nM
P78536	CHEMBL1584720	COc1cccc(Oc2c[nH]nc2c3ccc(OCC(=C)C)cc3O)c1	69478	nM
P78536	CHEMBL31776	ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3)cc2	58000	nM
P78536	CHEMBL226439	COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C	180000	nM
P78536	CHEMBL586061	O=C(Nc1cccc(c1)c2csc(n2)c3ccccc3)c4cccs4	69510	nM
P78536	CHEMBL366060	Cc1cc(COc2ccc3cc(ccc3c2)C4(C)C(=O)NC(=O)NC4=O)c5ccccc5n1	100000	nM
P78536	CHEMBL1468756	COC(=O)c1c(C)n(c2ccc(OC)cc2)c3ccc(O)cc13	69499	nM
P78536	CHEMBL1613092	COc1ccc(cc1)c2ccc(c(OC)n2)c3noc(n3)c4cccc(OC)c4	69473	nM
P78536	CHEMBL1306985	COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c3ccccc3)cc1	69456	nM
P78536	CHEMBL1542349	Cc1cc(NC(=O)c2c(F)cccc2Cl)n(n1)c3nc4ccccc4[nH]3	69520	nM
P78536	CHEMBL1571201	COc1ccccc1NC(=O)CN2N=C(c3ccc(Cl)cc3)c4ccccc4C2=O	69500	nM
P78536	CHEMBL1467369	CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)\C(=C\c2cccs2)\c3cccs3)ccc1C	69487	nM
P78536	CHEMBL1569616	COc1ccc(cc1)C2=NS(=O)(=O)N(C)C(=C2)C(=O)Nc3ccc(C)cc3	69483	nM
P78536	CHEMBL1308000	COc1ccc(cc1)c2cnc(N)nc2c3ccc(OCC(=C)C)cc3O	69492	nM
P78536	CHEMBL1545908	CC(OC(=O)c1cnc(C)cn1)C(=O)Nc2ccc3OCCOc3c2	69513	nM
P78536	CHEMBL1402441	CCCCN1C(=Nc2ccccc2C1=O)SCc3nc(N)nc(Nc4ccccc4C)n3	69497	nM
P78536	CHEMBL1313251	Cc1ccc(cc1)n2c(SCC(=O)Nc3cccc(c3)S(=O)(=O)N)nc4ccccc24	69496	nM
P78536	CHEMBL1424120	COc1ccc(OC)c(NC(=O)COC(=O)Cc2ccc(cc2)c3ccccc3)c1	69513	nM
P78536	CHEMBL1547261	COc1ccc(CN(C(C(=O)NC2CCCC2)c3ccc(C)cc3)C(=O)c4nsc(Cl)c4Cl)cc1	69510	nM
P78536	CHEMBL1538014	CCCn1c(SCC(=O)N2c3ccccc3Sc4ccccc24)nc5ccccc15	69513	nM
P78536	CHEMBL1423469	Cc1nc2ccc(cc2s1)S(=O)(=O)NCC(=O)NCc3ccc4OCOc4c3	69534	nM
P78536	CHEMBL1498451	Cc1cccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c1C	69513	nM
P78536	CHEMBL1399721	Oc1ccc(cc1)C2CC(=NN2C(=O)c3cccs3)c4ccccc4	69507	nM
P78536	CHEMBL1389471	Cc1cccc2cc(CN(Cc3occc3)C(=O)Nc4cccc(c4)C#N)c(Cl)nc12	69506	nM
P78536	CHEMBL1499684	COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCc3ccc(cc3)C(F)(F)F)c4cc5ccccc5s4	69520	nM
P78536	CHEMBL1540038	COc1ccc(c(O)c1)c2[nH]nc(c2c3oc4ccccc4c3)C(F)(F)F	69479	nM
P78536	CHEMBL1382213	Cc1cc(SCC(=O)c2ccc(O)c(O)c2)n3nc(C)c(c4ccccc4)c3n1	69499	nM
P78536	CHEMBL1361967	CC(C)C(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC(=O)c2c[nH]c3ccccc23	69513	nM
P78536	CHEMBL1733824	CCCCN(Cc1ccccc1)S(=O)(=O)c2cc3N(C(C)Cc3cc2Br)C(=O)C	69520	nM
P78536	CHEMBL1552655	CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)cc1	69505	nM
P78536	CHEMBL414597	ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c2ccc(OCc3ccc(cc3)C#N)cc2	77000	nM
P78536	CHEMBL1504766	Clc1ccc(CNC(=S)Nc2ccncc2)cc1	69590	nM
P78536	CHEMBL1726589	COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)n1cc(nn1)c2cc(cc(c2)c3cn(nn3)[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)C(=O)N6CCN(CC6)C(=O)OC(C)(C)C	69511	nM
P78536	CHEMBL1702515	OCCN(Cc1ccccc1)C(=O)C[C@@H](CC=C)C(=O)N[C@H](COC(=O)[C@@H](CCC=C)Cc2ccc(F)cc2)Cc3c[nH]c4ccccc34	69520	nM
P78536	CHEMBL1569954	CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	69534	nM
P78536	CHEMBL1335870	COc1ccc(OC)c(c1)c2csc(NC(=O)COC(=O)C3(C)CC3(Cl)Cl)n2	69520	nM
P78536	CHEMBL1425147	CCSc1nsc(NC(=O)Nc2cccc(OC)c2)n1	69548	nM
P78536	CHEMBL1418782	Cc1ccccc1NC2=NC(=O)\C(=C\c3cccn3C)\S2	69500	nM
P78536	CHEMBL1720535	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc3ccc(NC(=O)Nc4ccc5OCOc5c4)cc3CC1=O	69534	nM
P78536	CHEMBL181244	CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2	120000	nM
P78536	CHEMBL1425166	OC(C(=O)NNc1ccccc1Br)(c2cccc(c2)C(F)(F)F)c3cccc(c3)C(F)(F)F	69499	nM
P78536	CHEMBL1529276	Cc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1	69527	nM
P78536	CHEMBL1419256	CCOc1ccc(c(C)c1C)S(=O)(=O)Nc2ccc(F)cc2	69527	nM
P78536	CHEMBL1544895	COc1ccccc1CNS(=O)(=O)c2cc(ccc2C(C)C)c3onc(C)c3	69495	nM
P78536	CHEMBL1699360	Clc1ccc(cc1NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)S(=O)(=O)N4CCCCC4	69527	nM
P78536	CHEMBL531709	CC1CN(CC(C)O1)S(=O)(=O)c2ccc(NC(=O)c3cc(n[nH]3)c4ccccc4O)cc2	69541	nM
P78536	CHEMBL1610051	[O-][N+](=O)c1cccnc1N2CCC(CC2)c3cc([nH]n3)c4cccc(c4)C(F)(F)F	69502	nM
P78536	CHEMBL1377629	[O-][N+](=O)c1cccnc1N2CCC(CC2)c3cc([nH]n3)c4ccc(Cl)cc4	69509	nM
P78536	CHEMBL1414034	Cc1ccc(cc1)S(=O)(=O)N(Cc2ccc(Cl)cc2)c3ccccc3C(=O)NCc4occc4	69490	nM
P78536	CHEMBL1501022	Clc1cccc(NC(=O)NNC(=O)c2cc(nc3ccccc23)c4ccccc4)c1	69527	nM
P78536	CHEMBL1506281	Cc1cccc(c1)C(=N)NOC(=O)N2CCOCC2	69527	nM
P78536	CHEMBL1327545	COc1ccc(cc1)N(CC(O)Cn2c3ccccc3c4ccccc24)S(=O)(=O)c5ccccc5	69499	nM
P78536	CHEMBL1327545	COc1ccc(cc1)N(CC(O)Cn2c3ccccc3c4ccccc24)S(=O)(=O)c5ccccc5	69513	nM
P78536	CHEMBL1459330	Cc1cc(C)cc(NS(=O)(=O)c2ccc(Oc3ncc(cc3Cl)C(F)(F)F)cc2)c1	69520	nM
P78536	CHEMBL1546490	Cc1ccc(cc1)S(=O)(=O)N2CCC(=O)N2	69555	nM
P78536	CHEMBL1420600	Cc1onc(C)c1C(=O)OCC(=O)Nc2ccccc2Oc3ccccc3	69513	nM
P78536	CHEMBL1362504	Cc1ccc(cc1)C(=O)N2CCN(CC2)C3C(NS(=O)(=O)c4ccccc4)c5cccc6cccc3c56	69508	nM
P78536	CHEMBL1320912	O=C(Nc1cccc2ccccc12)c3ccc(OC(=S)N4CCOCC4)cc3	69498	nM
P78536	CHEMBL1301475	CCC(=O)N(Cc1occc1)c2nc(C(=O)Nc3ccc(Cl)cc3)c(C)s2	69504	nM
P78536	CHEMBL1387474	OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c3ccccc13	69527	nM
P78536	CHEMBL1520460	COC(=O)c1ccc(N2CCC(CC2)c3cc([nH]n3)c4ccc(OC)cc4)c(c1)[N+](=O)[O-]	69520	nM
P78536	CHEMBL1365202	CSc1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1	69498	nM
P78536	CHEMBL1702964	ClCCN(CCCl)c1ccc(C=NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1	69483	nM
P78536	CHEMBL1726848	COc1cccc(c1)C(=O)c2c(ncc3cc(OC)c(OC)cc23)c4ccccc4	69424	nM
P78536	CHEMBL191076	CC1(C(=O)NC(=O)NC1=O)c2ccc(O)cc2	100000	nM
P78536	CHEMBL1723028	OCCN(Cc1ccccc1)C(=O)C[C@@H](CC=C)C(=O)N[C@H](COC(=O)[C@@H](CCC=C)Cc2ccc(F)cc2)c3ccccc3	69500	nM
P78536	CHEMBL1504017	CCOC(=O)c1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c3ccc(F)cc3)cc1	69501	nM
P78536	CHEMBL1483028	COc1cc(cc(OC)c1O)c2nc(c3ccc4c(c3)c5ccccc5S4(=O)=O)c([nH]2)c6ccccc6	69500	nM
P78536	CHEMBL1345528	CC(Oc1ccc(Cl)cc1)c2ccnn2S(=O)(=O)c3ccccc3	69497	nM
P78536	CHEMBL1507018	COc1ccc(NC(=O)c2ccc(cc2)c3ccccc3)cc1NS(=O)(=O)c4ccc(F)cc4	69534	nM
P78536	CHEMBL1366729	Clc1ccc(CSc2oc(CNc3cccc(Cl)c3)nn2)c(Cl)c1	69520	nM
P78536	CHEMBL1386556	Cc1nn(Cc2ccccc2Cl)c3sc(cc13)C(=O)NCc4ccc5OCOc5c4	69520	nM
P78536	CHEMBL1383732	COc1ccc(cc1)N(C)S(=O)(=O)c2cccc(c2)C(=O)OC(C(=O)Nc3cc(C)cc(C)c3)c4ccccc4	69513	nM
P78536	CHEMBL1600040	CC(C)Nc1nc(NC(C)C)nc(n1)N(CCOc2ccc(Cl)cc2Cl)C#N	69508	nM
P78536	CHEMBL1392937	CCOC(=O)c1c(C)c(C)sc1NC(=O)CN2C(=O)NC(C)(C2=O)c3ccc(OC(F)F)cc3	69486	nM
P78536	CHEMBL1310332	[O-][N+](=O)c1ccc(cc1)c2nc(c3cccs3)c([nH]2)c4cccs4	69509	nM
P78536	CHEMBL1443824	Fc1ccc(cc1C(=O)Nc2cccc(Cl)c2)S(=O)(=O)NCCc3ccc(Cl)cc3	69504	nM
P78536	CHEMBL1526349	Clc1ccc(Cl)c(NC(=S)N(CCc2ccccc2)C3CC(=O)N(C3=O)c4c(Cl)cccc4Cl)c1	69506	nM
P78536	CHEMBL1523835	CCOC(=O)c1c(CSc2ccc(C)cc2)oc3ccc(O)cc13	69555	nM
P78536	CHEMBL1542569	COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CCC3CCCC3)c2)cc1	69497	nM
P78536	CHEMBL1517625	COc1ccccc1NS(=O)(=O)c2cccc(NC(=O)Nc3cccc(Cl)c3)c2	69496	nM
P78536	CHEMBL1575715	FC(F)(F)c1cccc(NC(=NCC2COc3ccccc3O2)S)c1	69504	nM
P78536	CHEMBL1374920	CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn2nc(cc2C(F)F)C(F)F	69493	nM
P78536	CHEMBL1374250	COc1ccc(OC)c(NC(=O)COC(=O)c2c3CCCCc3nc4ccccc24)c1	69520	nM
P78536	CHEMBL1319275	O=C(CC(c1ccccc1)c2ccccc2)Nc3ccc4OCCOc4c3	69506	nM
P78536	CHEMBL1727418	Cc1ccc2OC[C@H]3[C@@H](N4C(=O)CN(Cc5ccc(Cl)cc5)C(=O)[C@@]4(C)[C@H]3c6ccccc6)c2c1	69527	nM
P78536	CHEMBL1536544	Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3oc(SCc4ccccc4Cl)nn3	69527	nM
P78536	CHEMBL1321181	O=C(CN(Cc1cccs1)S(=O)(=O)c2ccc(cc2)S(=O)(=O)NC3CCCCC3)Nc4ccccc4	69527	nM
P78536	CHEMBL1450855	CN1C(=CC(=NS1(=O)=O)c2ccc(C)cc2)C(=O)Nc3ccc4OCOc4c3	69509	nM
P78536	CHEMBL1473962	CN(CC(=O)Nc1cccc(F)c1)C(=O)c2ccccc2OCc3cccc(C)c3	69510	nM
P78536	CHEMBL1518330	COc1ccc(cc1)S(=O)(=O)NCC(N2CCc3ccccc23)c4occc4	69511	nM
P78536	CHEMBL1327593	CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)C(=O)OC(C)(C)C	69493	nM
P78536	CHEMBL1321129	Nc1cc(ccc1Oc2ccc(Cl)cc2)S(=O)(=O)N3CCCCC3	69520	nM
P78536	CHEMBL1590313	Cc1cccc(c1)[C@@H]2[C@H]3[C@H](C(=O)N(Cc4ccccc4)C3=O)[C@@]5(Cc6ccccc6)N2C(=O)N(C5=O)c7ccc(cc7)C(F)(F)F	69555	nM
P78536	CHEMBL1609619	Cc1cc2OC(=O)C=C(c3ccccc3)c2c(C)c1c4ccc(O)cc4	69499	nM
P78536	CHEMBL1473172	[O-][N+](=O)c1ccc(cc1)[C@H]2[C@@H](N(N=C2c3cccc(Cl)c3)c4ccc(Br)cc4)C(=O)N5CCOC5=O	69527	nM
P78536	CHEMBL1408161	COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N4CCCC4)cc1	69520	nM
P78536	CHEMBL1608929	COc1ccc(cc1)N2CCC(CN=C(S)Nc3cccc(OC)c3)C2	69498	nM
P78536	CHEMBL1462207	Cc1ccc(NC(=O)c2cc3CCCCc3s2)cc1S(=O)(=O)Nc4ccccc4Cl	69492	nM
P78536	CHEMBL1717796	OCCN(Cc1ccccc1)C(=O)C[C@@H](CC=C)C(=O)N[C@H](COC(=O)[C@H](CCC=C)Cc2ccc(F)cc2)Cc3c[nH]c4ccccc34	69504	nM
P78536	CHEMBL1343752	OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)NCc3ccccc3)c4ccc(Br)cc4)cc1	69511	nM
P78536	CHEMBL1308010	CC(C)(C)c1ccc(cc1)c2nc(NCc3cccnc3)c4ccccc4n2	69520	nM
P78536	CHEMBL1360489	O=C(C1CCC(CN2C(=S)Nc3ccccc3C2=O)CC1)N4CCN(CC4)c5ccccc5	69513	nM
P78536	CHEMBL1460894	Cc1nc(N2CCCCC2)c3c(C)c(sc3n1)C(=O)Nc4ccc5OCCOc5c4	69520	nM
P78536	CHEMBL1501264	Cc1ccc(cc1S(=O)(=O)N2CCCCC2)C(=O)Nc3ccccc3C(=O)NCc4occc4	69480	nM
P78536	CHEMBL1573057	Cc1ccc2C(=O)N3[C@@H]4[C@H](COc5ccccc45)[C@H](c6ccccc6)[C@]3(C)C(=O)Nc2c1	69512	nM
P78536	CHEMBL1408046	COc1cc2NC(=O)[C@@]3(C)[C@H]([C@H]4COc5ccc(Cl)cc5[C@@H]4N3C(=O)c2cc1OC)c6ccccc6	69503	nM
P78536	CHEMBL1421187	Sc1n[nH]c(n1)c2sccc2OCc3ccc(Cl)cc3Cl	69504	nM
P78536	CHEMBL1491315	Cc1oc(\C=C\C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	69562	nM
P78536	CHEMBL1462418	COc1cccc(CNc2ccc(cc2C)[N+](=O)[O-])c1	69480	nM
P78536	CHEMBL1403216	COc1ccccc1N(C)S(=O)(=O)c2ccc(cc2)C(=O)NNC(=O)c3ccccc3O	69512	nM
P78536	CHEMBL1556868	CCOC(=O)c1ccc(cc1)N2C(c3ccc(cc3)[N+](=O)[O-])c4c(n[nH]c4C2=O)c5occc5	69520	nM
P78536	CHEMBL1341307	Oc1ccc(Cl)cc1NC(=O)C2CC(=NO2)c3c(F)cccc3Cl	69520	nM
P78536	CHEMBL1724784	COc1cccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1	69431	nM
P78536	CHEMBL1564519	Cl.COc1ccc(C)c2sc(nc12)N(CCCN(C)C)C(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc5C4	69520	nM
P78536	CHEMBL1901350	CC1(Cc2oc(cc2)C(F)(F)F)C(=O)Nc3cc(ccc13)c4ccc(F)cc4F	69534	nM
P78536	CHEMBL1870067	COc1cc(ccc1F)C(O)c2nc(cs2)c3ccc4ccccc4c3	69527	nM
P78536	CHEMBL1901182	Cc1ccc(cc1)S(=O)(=O)N2C[C@@H]3[C@H](C[C@H]2c4cccc5ccccc45)N([C@@H](CC3=O)c6ccccc6)S(=O)(=O)c7ccc(C)cc7	69541	nM
P78536	CHEMBL1890869	CCN(Cc1cccc(Br)c1)c2c(CC)nc3ccc(cn23)C(=O)Nc4ccc5NC(=O)COc5c4	69456	nM
P78536	CHEMBL1890686	OC(c1ccccc1)(c2nc(cs2)c3cccc(c3)C(F)(F)F)C(F)(F)F	69493	nM
P78536	CHEMBL1877015	CCc1nc2ccc(cn2c1N(C)Cc3nccs3)C(=O)Nc4cc(ccc4OC)c5ccccc5	69499	nM
P78536	CHEMBL1877001	CC(O)(c1ccc(F)c(F)c1)c2nc(cs2)c3cccc(c3)C(F)(F)F	69487	nM
P78536	CHEMBL1884966	CCOc1ccc(CCN2[C@@H](Cc3ccc(O)cc3)CN([C@H](CN4CCC[C@@H]4CN5[C@@H](CC(C)C)CNC5=S)Cc6ccc(O)cc6)C2=S)cc1	69473	nM
P78536	CHEMBL1881588	CC(C)(C)S(=O)N1Cc2cc(nc(c3cccc(c3)c4cccc(F)c4)c2[C@H]1CCO)C(=O)NCC(F)(F)F	69485	nM
P78536	CHEMBL1879111	Oc1nc2ccccc2n1C3CCN(CC3)C(c4ccccc4OC(F)(F)F)c5nnnn5c6ccc7OCCOc7c6	69513	nM
P78536	CHEMBL1898370	CCOC(=O)\C=C\1/CN(Cc2ccc(OC)cc2)S(=O)(=O)c3ccccc13	69534	nM
P78536	CHEMBL1884247	COc1ccc(NC(=O)Cn2nnc(c2COc3ccc4ccccc4c3)c5ccccc5)cn1	69513	nM
P78536	CHEMBL1868105	Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]3CCCN3C[C@H](Cc4ccccc4)N5C[C@H](Cc6ccc(O)cc6)N(CCc7ccccc7)C5=S)cc1	69489	nM
P78536	CHEMBL1882496	C[C@@H](COC(=O)C(C)(C)C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C1=O	69527	nM
P78536	CHEMBL1880565	CCCCCCNC(=O)O[C@H]1CN2N([C@@H]3CN(C[C@]13O)S(=O)(=O)c4ccc(C)cc4)C(=O)N(CCCCCC)C2=O	69508	nM
P78536	CHEMBL1897794	CC(O)(c1cccc(F)c1)c2nc(\C=C\c3ccccc3)cs2	69493	nM
P78536	CHEMBL1892953	Clc1ccc(cc1)C2NC(=O)NC2=O	69386	nM
P78536	CHEMBL1865368	CCOc1ccc(CCN2[C@@H](Cc3ccccc3)CN([C@H](CN4CCC[C@@H]4CN5[C@@H](CC(C)C)CNC5=S)Cc6ccc(O)cc6)C2=S)cc1	69534	nM
P78536	CHEMBL1900750	COc1cccc(c1)C(NC(=O)C)c2nc(cs2)c3ccc4ccccc4c3	69513	nM
P78536	CHEMBL1891222	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCc3ccccc3c4c(C1=O)n(C)c5ccccc45	69541	nM
P78536	CHEMBL1871600	CCN(Cc1cccc(Br)c1)c2c(CC)nc3ccc(cn23)C(=O)Nc4ccc(OC)c(OC)c4	69534	nM
P78536	CHEMBL1893268	COc1ccccc1NS(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)c(F)c3F)ccc2N4CCOCC4	69500	nM
P78536	CHEMBL1867037	OC(c1ccccc1)(c2nc(cs2)c3ccc(Cl)cc3)C(F)(F)F	69513	nM
P78536	CHEMBL1883149	COc1ccccc1NC(=S)N\N=C/c2c[nH]c3ccc(cc23)S(=O)(=O)N4CCCCC4	69534	nM
P78536	CHEMBL1883149	COc1ccccc1NC(=S)N\N=C/c2c[nH]c3ccc(cc23)S(=O)(=O)N4CCCCC4	69534	nM
P78536	CHEMBL1893852	CCN(Cc1cccc(Br)c1)c2c(CC)nc3ccc(cn23)C(=O)Nc4cccc(OC)c4	69534	nM
P78536	CHEMBL1893620	CC1(Cc2cccc(c2)C#N)C(=O)Nc3ccc(cc13)c4cccc(c4)C(F)(F)F	69527	nM
P78536	CHEMBL1903212	COc1ccc(NC(=O)Nc2ccc3O[C@H](CN(C)S(=O)(=O)c4cccs4)[C@H](C)CN([C@@H](C)CO)C(=O)c3c2)cc1	69493	nM
P78536	CHEMBL1873230	COc1ccc(cc1)C(N2CCN(C\C=C\c3ccccc3)CC2)c4nnnn4Cc5ccccc5	69502	nM
P78536	CHEMBL1887827	Cc1ccc(CN2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1	69520	nM
P78536	CHEMBL1881685	CC(O)(c1ccccc1)c2nc(cs2)c3oc4ccccc4c3	69501	nM
P78536	CHEMBL1892891	O=C1NCN(c2ccccc2)C13CCN(CC3)C(c4cccc5ccccc45)c6nnnn6Cc7ccccc7	69548	nM
P78536	CHEMBL1979574	Oc1ccc(\C=N\NC(=O)C(CSCc2ccccc2)NC(=O)c3ccc(cc3)[N+](=O)[O-])c(O)c1	69511	nM
P78536	CHEMBL1892066	CCC(N1CCC2(CC1)N(CNC2=O)c3ccccc3)c4nnnn4Cc5ccccc5	69438	nM
P78536	CHEMBL1890635	OC[C@H](Cc1ccccc1)NC(=O)C[C@H]2C\C=C/CC[C@@H](Cc3ccc(F)cc3)C(=O)O[C@H](CNC2=O)c4ccccc4	69499	nM
P78536	CHEMBL1879258	CC(O)(c1ccc(F)c(F)c1)c2nc(cs2)c3oc4ccccc4c3	69513	nM
P78536	CHEMBL1885808	CC(C)c1c(nnn1c2nonc2N)C(=O)N\N=C\c3cccc4ccccc34	69520	nM
P78536	CHEMBL1867810	CC(C)C1N(Cc2ccc(cc2)c3ccccc3)[S+](=O)([O-])CCN(Cc4cn(CC5CCCCC5)nn4)C1=O	69509	nM
P78536	CHEMBL1904243	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3C1=O	69502	nM
P78536	CHEMBL1900400	COc1ccc(OC(F)(F)F)cc1CC2(C)C(=O)Nc3ccc(cc23)c4ccsc4	69486	nM
P78536	CHEMBL1905891	OC(c1ccccc1)(c2nc(cs2)c3ccc4OCOc4c3)C(F)(F)F	69534	nM
P78536	CHEMBL1874900	OC(c1ccc(F)c(F)c1)c2nc(cs2)c3cccc(c3)C(F)(F)F	50522	nM
P78536	CHEMBL1868450	OCCCn1c(nc2cc(Cl)c(Cl)cc12)C3CCCN3c4nc(cs4)c5ccc(F)cc5	69459	nM
P78536	CHEMBL1895849	Clc1cccc(NC(=O)OCCOCCOC(=O)Nc2cccc(Cl)c2)c1	69433	nM
P78536	CHEMBL1872282	Cc1cc(C)c2C(=O)N3C(=Nc2c1)C(Cc4ccc(O)cc4)NC(=O)c5cc6ccccc6cc35	69541	nM
P78536	CHEMBL1894622	CC(C)c1cccc(c1)c2csc(n2)C(O)c3cccc(Cl)c3	69513	nM
P78536	CHEMBL1897629	CCc1noc(C)c1C(=O)OC(C)C(=O)Nc2ccc3OCOc3c2	69555	nM
P78536	CHEMBL1898802	CC1(Cc2ccc(Cl)c(Cl)c2)C(=O)Nc3ccc(cc13)S(=O)(=O)NC4CCCCC4	69495	nM
P78536	CHEMBL1896937	O=C(Nc1ccc2OCCOc2c1)C(N3CCC(Cc4ccccc4)CC3)c5ccnc6ccccc56	69513	nM
P78536	CHEMBL1904601	Oc1ccc(C[C@H]2CNC(=S)N2CC3CCCN3C[C@H](Cc4ccccc4)N5C[C@H](Cc6ccc(O)cc6)N(CC7CCCCC7)C5=S)cc1	69502	nM
P78536	CHEMBL1896572	CC1(Cc2oc(cc2)C(F)(F)F)C(=O)Nc3ccc(cc13)c4cccc(c4)C(F)(F)F	69562	nM
P78536	CHEMBL1895669	CCCn1c(CCNc2nc(cs2)c3cccc(Br)c3)nc4ccccc14	69569	nM
P78536	CHEMBL1892820	Cc1cc(F)ccc1C(O)c2nc(c[nH]2)c3cccc(OCc4ccccc4)c3	69520	nM
P78536	CHEMBL2004592	COc1cc(\C=N\OCC(=O)Nc2ccc(OC(F)F)cc2)ccc1OCc3ccccc3	69513	nM
P78536	CHEMBL1997797	COCC\N=C\1/SC=C(N1\N=C\c2c(C)[nH]c3ccccc23)c4cc(OC)c(OC)c(OC)c4	69503	nM
P78536	CHEMBL1997797	COCC\N=C\1/SC=C(N1\N=C\c2c(C)[nH]c3ccccc23)c4cc(OC)c(OC)c(OC)c4	69503	nM
P78536	CHEMBL1970905	COc1ccc(NC(=O)C2(C)Cc3c(O2)nccc3c4cccc(c4)C(F)(F)F)cn1	69534	nM
P78536	CHEMBL2136909	O=C(Nc1cccc(c1)C#N)c2cc(on2)C3CCCCN3S(=O)(=O)c4ccccc4	69484	nM
P78536	CHEMBL2135228	CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc3cc(ccc3S1(=O)=O)N4CC[C@H](O)C4	69510	nM
P78536	CHEMBL2136964	COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3C(=O)N(C[C@H]2C)[C@H](C)CO	69500	nM
P78536	CHEMBL2144898	CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc3cc(ccc3S1(=O)=O)N4CC[C@H](O)C4	69520	nM
P78536	CHEMBL2142801	COc1ccc(cc1OC)c2ccc(CN3C(C(C)C)C(=O)N(Cc4cn(Cc5occc5)nn4)CCS3(=O)=O)cc2	69497	nM
P78536	CHEMBL2136674	C[C@@H](N1C[C@H](COCc2ccccc2)Oc3cc(ccc3S1(=O)=O)N4CC[C@@H](O)C4)c5ccccc5	69513	nM
P78536	CHEMBL2133252	CCCCCCN1C(=O)N2C[C@H](OC(=O)NCc3ccc(OC)c(OC)c3)[C@H](OC(=O)NCc4ccc(OC)c(OC)c4)[C@@H](CN(CC#C)S(=O)(=O)c5ccc(C)cc5)N2C1=O	69509	nM
P78536	CHEMBL2133525	Cc1cc(N2CCN(CC2)C(=O)Oc3ccc(cn3)c4ccccc4)c5ccccc5n1	69378	nM
P78536	CHEMBL2143724	CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc3cc(ccc3S1(=O)=O)N4CCC[C@H]4CO	69520	nM
P78536	CHEMBL2137206	COc1cccc(c1)C(Nc2ccccc2)c3ccc4ccc(C)nc4c3O.OC(=O)C(F)(F)F	69217	nM
P78536	CHEMBL2358966	Cc1ccc(cc1)S(=O)(=O)N2CCN([C@H](COC(=O)Nc3ccccc3)Cc4ccccc4)C(=O)CC2	69448	nM
P78536	CHEMBL2354591	COC(=O)C1=C(C)N(Cc2ccc(Br)cc2)C(=S)NC1c3ccc(F)cc3	69583	nM
P78536	CHEMBL3182161	O=C(CSc1oc2ccccc2n1)NN=C\C=C\c3ccccc3	69508	nM
P78536	CHEMBL3187038	Cc1sc2N=C(SCC(=O)c3ccc(O)c(O)c3)N(Cc4occc4)C(=O)c2c1C	69534	nM
P78536	CHEMBL3145192	CC1=C(C(C(C#N)C#N)c2ccc(Br)cc2)C(=O)N(N1)c3ncc(s3)c4ccccc4	69513	nM
P78536	CHEMBL3185731	O=C(CSc1nnc(c2cccs2)n1Cc3occc3)Nc4ccc(Oc5ccccc5)cc4	69527	nM
P78536	CHEMBL3198383	Oc1nnc(C(NC(=O)c2ccccc2)C(=O)N\N=C\c3cccc4ccccc34)c5ccccc15	69473	nM
P78536	CHEMBL3194785	CCc1ccc(\C=C\2/S\C(=C/C(=O)C(C)(C)C)\NC2=O)cc1	69520	nM
P78536	CHEMBL3199359	COCC\N=C\1/SC=C(N1\N=C\c2c[nH]c3ccccc23)c4cc(OC)ccc4OC	69509	nM
P78536	CHEMBL3199359	COCC\N=C\1/SC=C(N1\N=C\c2c[nH]c3ccccc23)c4cc(OC)ccc4OC	69509	nM
P78536	CHEMBL3196841	Cc1ccc(cc1)\N=C/2\C(OC(=O)c3ccc(C)cc3)OC(=C2Cl)O	69534	nM
P78536	CHEMBL3182718	CN1[C@H]2CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]2COc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C1=O	69562	nM
P78536	CHEMBL3182983	COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(=NC1c3ccc(F)cc3)NCc4ccc5OCOc5c4	69513	nM
P78536	CHEMBL3182418	COc1ccc(cc1)n2c(Cc3cccs3)nnc2SCC(=O)Nc4ccc(OCc5ccccc5)cc4	69520	nM
P78536	CHEMBL3184916	Cc1cccc(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1	69448	nM
P78536	CHEMBL3183712	CCOC(=O)N1CCN(CC1)C(=O)C[C@H]2C[C@@]3([C@H](O[C@H](C=C3N(Cc4ccc(Cl)cc4Cl)C2=O)C(C)C)C5CC5)C(=O)OC	69527	nM
P78536	CHEMBL3183981	CCOc1ccc(cc1)n2c(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)nnc2c5ccc(cc5)C(C)(C)C	69496	nM
P78536	CHEMBL3196102	N(\N=C\C=C\c1ccccc1)c2nc3ccccc3s2	69503	nM
P78536	CHEMBL3197167	NS(=O)(=O)c1ccc(N\N=C\C=C\c2ccccc2[N+](=O)[O-])cc1	69508	nM
P78536	CHEMBL3190021	COc1cc(\C=N\NC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c3ccc(C)cc3	69527	nM
P78536	CHEMBL3196877	CN1C(=O)\C(=N/c2ccc(O)cc2)\c3c4ccccc4c(O)c5cccc1c35	69510	nM
P78536	CHEMBL3185785	COC(=O)[C@H](CC(C)C)N(CCc1cn(Cc2ccccc2)nn1)S(=O)(=O)c3ccccc3Br	69520	nM
P78536	CHEMBL3189131	CCCCCCCCNS(=O)(=O)\C=C\c1ccccc1CNC(=O)OC(C)(C)C	69597	nM
P78536	CHEMBL3193700	O=S(=O)(N\N=C\c1cn(Cc2ccccc2)c3ccccc13)c4ccccc4	69496	nM
P78536	CHEMBL3192609	Fc1c(F)c(c(F)c(F)c1N\N=C/c2cccs2)C(F)(F)F	69513	nM
P78536	CHEMBL3191864	COc1ccc(cc1)C(=O)N\N=C\c2ccc(OC)c(COc3ccccc3)c2	69520	nM
P78536	CHEMBL3187263	Cc1ccc(OCc2nnc(SC\C=C\c3ccccc3)n2Cc4occc4)cc1	69562	nM
P78536	CHEMBL3188643	COC(=O)[C@H](CC(C)C)N1Cc2nnn(Cc3ccc(C)cc3)c2c4cc(F)ccc4S1(=O)=O	69513	nM
P78536	CHEMBL3188587	CC(=NNC(=O)CSc1nnc(c2ccc(cc2)C(C)(C)C)n1c3ccccc3)c4cccc5ccccc45	69513	nM
P78536	CHEMBL3188587	CC(=NNC(=O)CSc1nnc(c2ccc(cc2)C(C)(C)C)n1c3ccccc3)c4cccc5ccccc45	69513	nM
P78536	CHEMBL3185686	Clc1ccc(cc1)n2c(COc3ccccc3)nnc2SCC(=O)Nc4ccccc4c5ccccc5	69478	nM
P78536	CHEMBL3185636	COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc4cccc5ccccc45)C1=C[C@@H](O[C@@H]2C6CC6)C(C)C	69502	nM
P78536	CHEMBL3186340	Clc1cccc(CN2CCCCC(NC(=O)c3ccc(COc4ccccc4)cc3)C2=O)c1	69513	nM
P78536	CHEMBL3186739	CN1[C@H]2CC[C@H](CC(=O)NCc3ccc(cc3)c4ccccc4)O[C@@H]2COc5ccc(NC(=O)Nc6ccccc6F)cc5C1=O	69520	nM
P78536	CHEMBL3197117	CNC(=O)C1CC(=O)N=C(N\N=C(/C)\c2cccs2)S1	69527	nM
P78536	CHEMBL3199869	Brc1ccc(NC(=O)CC2S\C(=N/c3ccccc3)\N(Cc4ccccn4)C2=O)cc1	69520	nM
P78536	CHEMBL3192842	COC(=O)c1cccc(CN2C(=O)SC(=C2Cl)\C=N\Nc3ccccc3C)c1	69495	nM
P78536	CHEMBL3194223	CC(Nc1ccccc1C)C(=O)N\N=C\c2ccccc2OCc3cccc(Br)c3	69527	nM
P78536	CHEMBL3194223	CC(Nc1ccccc1C)C(=O)N\N=C\c2ccccc2OCc3cccc(Br)c3	69527	nM
P78536	CHEMBL3192533	C\C(=N/N=C(\N)/SC1CC(=O)N(C1=O)c2ccc(Br)cc2)\c3cccs3	69501	nM
P78536	CHEMBL3195360	CCOc1ccc(N\N=C/2\C(=O)NN3C(=O)C=C(C)N=C23)cc1	69520	nM
P78536	CHEMBL3195663	Cc1ccccc1\N=C\2/SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc5ccccn5	69506	nM
P78536	CHEMBL3188193	CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]3([C@H](O[C@H](C=C13)C(C)C)C4CC4)C(=O)OC	69527	nM
P78536	CHEMBL3188669	Cc1ccc(cc1C)c2cc([nH]n2)C(=O)NN=Cc3cccc(OCc4ccccc4)c3	69483	nM
P78536	CHEMBL3196447	COc1ccc(cc1)\N=C\2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc4occc4	69496	nM
P78536	CHEMBL3199540	COc1cc(\C=N\O)cc(Br)c1OCc2ccc(Cl)cc2	69502	nM
P78536	CHEMBL3183645	COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3cccc4ccccc34)C1=C[C@@H](O[C@@H]2C5CC5)C(C)C	69488	nM
P78536	CHEMBL3189612	CCc1ccc(NC(=O)CO\N=C(/C)\c2oc3ccccc3c2)cc1	69513	nM
P78536	CHEMBL3195351	C\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\c2ccc(C)cc2C	69454	nM
P78536	CHEMBL3192745	Cc1ccc(OCCOCCOc2ccc(Br)cc2\C=N/NC(=O)c3ccncc3)cc1	69520	nM
P78536	CHEMBL3190240	Cc1ccccc1N2C(=Nc3ccccc3C2=O)SCC(=O)N\N=C\C=C\c4ccccc4[N+](=O)[O-]	69520	nM
P78536	CHEMBL3190366	CCOc1ccc(CNC(=S)N\N=C\c2ccc(OC)c(OC)c2)cc1	69509	nM
P78536	CHEMBL3185562	CC(C)(C)c1ccc(cc1)c2nnc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)n2c5ccc(Cl)cc5	69493	nM
P78536	CHEMBL3190770	COc1cc(\C=N\NC(=O)c2cc(nc3ccccc23)c4ccccc4OC(C)C)ccc1O	69494	nM
P78536	CHEMBL3182098	Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(c3ccc(Cl)cc3[N+](=O)[O-])c1C(=O)NCCc4c[nH]c5ccccc45	69505	nM
P78536	CHEMBL3183423	CCN(CC)c1ccc(NC(=O)CSC2=Nc3ccccc3C(=O)N2c4ccc(C)cc4)cc1	69504	nM
P78536	CHEMBL3196661	Clc1ccccc1C(=O)N\N=C\c2cn(nc2c3ccccc3)c4cccs4	69502	nM
P78536	CHEMBL3183231	Clc1ccc(NC(=O)CN2CCN(CC2)c3nc(cs3)c4ccccc4)cc1Cl	69562	nM
P78536	CHEMBL3187645	Nc1[nH]c(C(=O)c2ccccc2)c(c3cccc(c3)C(F)(F)F)c1C(=O)NCCc4c[nH]c5ccccc45	69562	nM
P78536	CHEMBL3188594	COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)CSc3nnc(c4ccccc4F)n3c5ccc(C)cc5	69541	nM
P78536	CHEMBL3188725	CCOC(=O)C1=C(C2N(Cc3ccc(cc3)C#N)c4ccccc4[C@@]25C[C@H](N(C5=N1)S(=O)(=O)c6ccc(OC)cc6)C(=O)OC)C(=O)OCC	69505	nM
P78536	CHEMBL3188736	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc3OCOc3c2)OCCCC[C@@H](C)Oc4ccc(NC(=O)Nc5ccc(cc5)C(F)(F)F)cc4C1=O	69479	nM
P78536	CHEMBL3190507	CNC(=S)N\N=C\c1cn(CCOc2ccc(OC)cc2)c3ccccc13	69527	nM
P78536	CHEMBL3190022	Clc1nc(N\N=C\c2ccccc2)c(Cl)c(Cl)c1C#N	69499	nM
P78536	CHEMBL3198489	COc1ccc(NC(C)C(=O)N\N=C\c2ccccc2OCc3cccc(Br)c3)cc1	69490	nM
P78536	CHEMBL3192223	COc1ccc(NC(C)C(=O)N\N=C\c2ccccc2OCc3ccc(Br)cc3)cc1	69493	nM
P78536	CHEMBL3192775	CCOc1ccc(\C=N\NC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)c(OCC)c1	69513	nM
P78536	CHEMBL3191058	Oc1cccc(\C=N\N(Cc2ccccc2)c3ccccc3)c1	69541	nM
P78536	CHEMBL3235416	CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc2ccccc2)CC(=O)O	100000	nM
P78536	CHEMBL3183219	Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(c3ccccn3)c1C(=O)NCCc4c[nH]c5ccccc45	69513	nM
P78536	CHEMBL3182668	CCOc1ccc(cc1)n2c(SCC(=O)Nc3cc(C)c(NC(=O)c4ccccc4)cc3OC)nnc2c5cccs5	69520	nM
P78536	CHEMBL3193593	CCNC(=S)N\N=C\c1cn(Cc2ccccc2F)c3ccccc13	69520	nM
P78536	CHEMBL3193447	COc1cc(NC(=O)C\C(=N\NC(=O)Cc2ccccc2)\C)c(OC)cc1Cl	69509	nM
P78536	CHEMBL3194467	Sc1nnc(C2CCCCC2)n1\N=C\C=C\c3ccccc3	69505	nM
P78536	CHEMBL3184349	COc1cccc(CC(=O)N(Cc2ccccc2)c3ccccc3C(=O)Nc4cc(OC)ccc4OC)c1	69527	nM
P78536	CHEMBL3185595	C(Sc1nnc(c2ccccn2)n1c3ccccc3)c4cccc5ccccc45	69406	nM
P78536	CHEMBL3193397	C\C(=N/N=C(\N)/SC1CC(=O)N(C1=O)c2ccccc2)\c3cccs3	69503	nM
P78536	CHEMBL3184105	Clc1ccc(cc1)n2c(Cc3cccs3)nnc2SCC(=O)Nc4ccc(OCc5ccccc5)cc4	69497	nM
P78536	CHEMBL3185127	Cc1ccc(cc1)n2c(Cc3cccs3)nnc2SCC(=O)Nc4ccc(OCc5ccccc5)cc4	69520	nM
P78536	CHEMBL3593359	CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H](Cc3ccc(O)cc3)N4C[C@H](Cc5ccc(O)cc5)N(CC6CCC6)C(=O)C4=O	94000	nM
P78536	CHEMBL3593550	Oc1ccc(C[C@@H]2CNC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H](Cc4ccc5ccccc5c4)N6C[C@H](Cc7ccc(O)cc7)N(CCC89CC%10CC(CC(C%10)C8)C9)C(=O)C6=O)cc1	100000	nM
P78536	CHEMBL3751971	ONC(=O)Cc1ccccc1S(=O)(=O)c2ccc(OCCCN3C(=O)c4ccccc4C3=O)cc2	150000	nM
P78536	CHEMBL3754100	CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(Br)s1	114000	nM
P30291	CHEMBL484985	Oc1ccc2[nH]c3cc(c4ccc(cc4)c5ccccc5)c6C(=O)NC(=O)c6c3c2c1	50118.72	nM
P37231	CHEMBL593320	Cc1oc(nc1CCCc2ccc(C[C@H](C(=O)O)n3nccn3)cc2)c4ccccc4	70000	nM
P37231	CHEMBL516129	CN(Cc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)Cc3nc(oc3C)c4ccccc4	100000	nM
P37231	CHEMBL477940	CN(CC#Cc1ccc(CC(C(=O)O)n2cccc2)cc1)c3ccccn3	53000	nM
P37231	CHEMBL258558	CC(C)(c1ccc(OCC2CO2)cc1)c3ccc(OCC4CO4)cc3	100000	nM
P37231	CHEMBL981	CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O	744000	nM
P37231	CHEMBL478563	CC(=O)N(Cc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)Cc3nc(oc3C)c4ccccc4	100000	nM
P37231	CHEMBL518700	CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)[C@@H](C)C[C@H]3OC(=O)C(=C)[C@H]13	55000	nM
P37231	CHEMBL284768	COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC	140000	nM
P37231	CHEMBL295416	Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C	53700	nM
P37231	CHEMBL2070098	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])c2nc(c(s2)C(=O)N3CCCCC3)C(F)(F)F	60000	nM
P37231	CHEMBL2070235	Cc1nc(sc1C(=O)N2CCCCC2)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P37231	CHEMBL2070237	CCc1nc(sc1C(=O)N2CC3(C)CC2CC(C)(C)C3)c4ccc(c(c4)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P37231	CHEMBL2070090	CCCN(C(=O)c1csc(n1)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C)c3ccccc3	60000	nM
P37231	CHEMBL2070091	CC1CCN(CC1)C(=O)c2sc(nc2C)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P37231	CHEMBL2070236	CC1(C)CC2CC(C)(CN2C(=O)c3sc(nc3C(F)(F)F)c4ccc(c(c4)[N+](=O)[O-])S(=O)(=O)C)C1	60000	nM
P37231	CHEMBL2070095	CN(Cc1ccccc1F)C(=O)c2sc(nc2C(F)(F)F)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P37231	CHEMBL2070093	CC1Cc2ccccc2N1C(=O)c3sc(nc3C(F)(F)F)c4ccc(c(c4)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P37231	CHEMBL2070094	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])c2nc(c(s2)C(=O)N3CCc4ccccc4C3)C(F)(F)F	60000	nM
P37231	CHEMBL2070234	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])c2ncc(s2)C(=O)NC34CC5CC(CC(C5)C3)C4	60000	nM
P37231	CHEMBL2070099	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])c2ncc(s2)C(=O)N3CCCCC3	60000	nM
P37231	CHEMBL2070232	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])c2nc(c3ccccc3)c(s2)C(=O)N4CCCCC4	60000	nM
P37231	CHEMBL2070238	CN(Cc1cccc(F)c1)C(=O)c2sc(nc2C(F)(F)F)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P37231	CHEMBL2070092	Cc1nc(sc1C(=O)N2CC3(C)CC2CC(C)(C)C3)c4ccc(c(c4)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P37231	CHEMBL2070096	CN(Cc1ccccc1)C(=O)c2sc(nc2C(F)(F)F)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P37231	CHEMBL2070097	CC1CCN(CC1)C(=O)c2sc(nc2C(F)(F)F)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P37231	CHEMBL2070233	CCc1nc(sc1C(=O)N2CCCCC2)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P37231	CHEMBL2323021	C[C@@H]1CN(CCN1S(=O)(=O)c2ccc(s2)[C@@](O)(C(=O)N)C(F)(F)F)c3ccc(F)cc3C(F)(F)F	100000	nM
P37231	CHEMBL2403501	CCN(Cc1ccc(CCC(=O)O)cc1)C(=O)c2cccc(CN(CC)C(=O)c3ccccc3)c2	56200	nM
P37231	CHEMBL2403509	OC(=O)CCc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccccc3)c2)cc1	62700	nM
P37231	CHEMBL3264936	CCN1C(=NN(Cc2ccc(cc2)C(C)(C)C)C1=O)CCCc3ccc(cc3)c4ccc(NS(=O)(=O)c5ccc(cc5)c6ccc(OC)cc6)cc4	100000	nM
P37231	CHEMBL3343011	COc1ccc(cc1)C2COc3cc(O)ccc3C2=O	124000	nM
P37231	CHEMBL3754461	O=C1NC(=O)C(=Cc2ccc(cc2)N(CCOCc3ccccc3)CCOCc4ccccc4)C(=O)N1	78400	nM
P37231	CHEMBL3754373	CC(=O)OCCN(CCOCc1ccccc1)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2	200000	nM
P37231	CHEMBL3753871	COc1ccc(COCCN(CCOc2ccccn2)c3ccc(C=C4C(=O)NC(=O)NC4=O)cc3)cc1	84000	nM
P37231	CHEMBL3753560	COc1ccc(COCCN(CCOCc2ccc(OC)cc2)c3ccc(C=C4C(=O)NC(=O)NC4=O)cc3)cc1	59100	nM
P37231	CHEMBL3753308	COc1ccc(COCCN(CCOCc2ccccc2)c3ccc(C=C4C(=O)NC(=O)NC4=O)cc3)cc1	191000	nM
P37231	CHEMBL3828718	COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(oc2C)c3ccc(Cl)cc3)ccc1F	98400	nM
P07550	CHEMBL252273	Cc1cc2[nH]c(C(=O)NCCC(=O)O)c(CCc3ccccc3)c2cc1C(=O)O	820000	nM
P07550	CHEMBL250740	CCCCCc1c(CO)c2cc(C)c(cc2n1CCc3ccccc3)C(=O)O	280000	nM
P07550	CHEMBL74860	CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3cccc(CC4NCCc5cc(O)c(O)cc45)c3	100000	nM
P07550	CHEMBL76403	CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc45)ccc3c2	100000	nM
P07550	CHEMBL252077	Cc1cc2[nH]c(C(O)CCCC(=O)O)c(CCc3ccccc3)c2cc1C(=O)O	777000	nM
P07550	CHEMBL403296	CCCCC(O)c1[nH]c2cc(C)c(cc2c1CCc3ccccc3)C(=O)O	1540000	nM
P11712	CHEMBL103320	Cc1ccc(N\C=N\O)cc1	79000	nM
P11712	CHEMBL602483	O[C@@H](CN1[C@H](COc2c1cccc2c3cccc(OC(F)(F)F)c3)c4cccc(OC(F)(F)C(F)F)c4)C(F)(F)F	100000	nM
P11712	CHEMBL390526	Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1	100000	nM
P11712	CHEMBL493001	COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O	59000	nM
P11712	CHEMBL493001	COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O	59020108.02	nM
P11712	CHEMBL179399	C[n+]1c[nH]cc1c2cccnc2	79500	nM
P11712	CHEMBL146826	CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	100000	nM
P11712	CHEMBL392760	NCCc1cn(c2ccccc12)S(=O)(=O)c3c(Cl)nc4sccn34	500000	nM
P11712	CHEMBL489095	C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc4cccc(F)c4)cc2)CCN1	100000	nM
P11712	CHEMBL407034	Cc1cc(\C=C\C(=O)\C=C\c2cc(C)c(O)c(C)c2)cc(C)c1O	62805835.88	nM
P11712	CHEMBL407034	Cc1cc(\C=C\C(=O)\C=C\c2cc(C)c(O)c(C)c2)cc(C)c1O	62800	nM
P11712	CHEMBL103163	CC(C)(C)c1ccc(N\C=N\O)cc1	100000	nM
P11712	CHEMBL297784	Cn1ccc2cc3N(CCc3cc12)C(=O)Nc4cccnc4	100000	nM
P11712	CHEMBL178681	NCc1ccc(s1)c2cccnc2.N=Cc3ccc(s3)c4cccnc4.N=Cc5ccc(s5)c6cccnc6	208000	nM
P11712	CHEMBL425519	Cc1cscc1c2ccc(F)nc2	400000	nM
P11712	CHEMBL361364	CCn1cnc(c1)c2cccnc2	75200	nM
P11712	CHEMBL225411	FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC3CCOCC3	100000	nM
P11712	CHEMBL270361	COc1cc(\C=C\2/CC\C(=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O	2798981.32	nM
P11712	CHEMBL244403	CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c4ccccc14	80800	nM
P11712	CHEMBL448743	O=C1CCc2cc(ccc12)c3cccnc3	123000	nM
P11712	CHEMBL376722	CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2C)CC1	100000	nM
P11712	CHEMBL178534	O\N=C\c1ccc(s1)c2cccnc2	223000	nM
P11712	CHEMBL179704	Cc1cscc1c2cccnc2	123000	nM
P11712	CHEMBL496935	Cc1cc(\C=C\2/CC\C(=C/c3cc(C)c(O)c(C)c3)\C2=O)cc(C)c1O	28313919.96	nM
P11712	CHEMBL528995	Clc1ccc(cc1Cl)C23CNCC2C3	99000	nM
P11712	CHEMBL453384	CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1F	52000	nM
P11712	CHEMBL482409	Oc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)cc3)\C2=O)cc1	1000000	nM
P11712	CHEMBL360999	Cn1cnc(c1)c2cccnc2	79500	nM
P11712	CHEMBL1235	CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	58000	nM
P11712	CHEMBL1235	CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	58000	nM
P11712	CHEMBL196947	OC(=O)C1(CC1)c2ccc(c(F)c2)c3ccc(cc3)c4ccc(O)cc4	89000	nM
P11712	CHEMBL391615	CN(C(=O)[C@H]1CN(C[C@@H]1c2ccc(F)cc2C)C(=O)C3CCN(CC3)C(=O)C)C(C)(C)c4cc(cc(c4)C(F)(F)F)C(F)(F)F	100000	nM
P11712	CHEMBL147806	CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	90000	nM
P11712	CHEMBL362702	CC(=O)c1ccc(s1)c2cccnc2	98200	nM
P11712	CHEMBL179005	Fc1ccc(cn1)c2ccsc2	400000	nM
P11712	CHEMBL179398	O=Cc1ccc(s1)c2cccnc2	55200	nM
P11712	CHEMBL1109	Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3	318000	nM
P11712	CHEMBL1684585	Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c4ccccc4)cc2)cs1	100000	nM
P11712	CHEMBL1684585	Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c4ccccc4)cc2)cs1	100000	nM
P11712	CHEMBL368883	Cc1nccn1c2cccnc2	300000	nM
P11712	CHEMBL17201	O=C(\C=C\c1ccccc1)\C=C\c2ccccc2	67297665.63	nM
P11712	CHEMBL17201	O=C(\C=C\c1ccccc1)\C=C\c2ccccc2	67300	nM
P11712	CHEMBL62811	O=C1CCc2cc(ccc2N1)c3cccnc3	58900	nM
P11712	CHEMBL444533	O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)CN4CCN(Cc5oc(cc5)c6ccccc6)C[C@H]4C(=O)NCC(F)(F)F	83900	nM
P11712	CHEMBL542139	Cl.COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N4CCNCC4	100000	nM
P11712	CHEMBL213221	Cc1cc(nn1Cc2cc(Br)ccc2OCc3ccccc3)C(=O)O	100000	nM
P11712	CHEMBL178330	O\N=C/c1oc(cc1)c2cccnc2	398000	nM
P11712	CHEMBL179618	c1cncc(c1)c2cccs2	99200	nM
P11712	CHEMBL276140	CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F	100000	nM
P11712	CHEMBL276140	CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F	100000	nM
P11712	CHEMBL239099	OC=O.O=C(N1CCN(C(=O)C1)c2ccc(OC3CCN(CC3)C4CCC4)cc2)c5ccc(cc5)C#N	100000	nM
P11712	CHEMBL239299	C[C@@H]1CCCN1CCCOc2ccc(cc2)N3CCN(CC3=O)C(=O)c4ccc(F)cc4F.OC=O	100000	nM
P11712	CHEMBL551964	Cc1ccc2c3O[C@@H](CN4CCN(CC4)c5ccc6cc(ccc6n5)C#N)COc3ccc2n1	358000	nM
P11712	CHEMBL1630	Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	62000	nM
P11712	CHEMBL1630	Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	62000	nM
P11712	CHEMBL534958	Cl.O=C(N1CCN(C(=O)C1)c2ccc(OCCCN3CCCCC3)cc2)c4ccc(cc4)C#N	100000	nM
P11712	CHEMBL551991	Cc1oc2ccc(cc2c1)\N=C(\NC#N)/N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O	200000	nM
P11712	CHEMBL225413	Fc1c(Cl)cccc1Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F	75000	nM
P11712	CHEMBL179669	Cc1ccsc1c2cccnc2	93100	nM
P11712	CHEMBL14563	Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl	100000	nM
P11712	CHEMBL14563	Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl	100000	nM
P11712	CHEMBL14276	COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)c4cccnc4)c2cc1C(F)(F)F	82000	nM
P11712	CHEMBL292759	COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N3CCN(C)CC3	100000	nM
P11712	CHEMBL129134	Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1	1798870.92	nM
P11712	CHEMBL1631540	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc(c4)N5CCNC5=O)CC3	60000	nM
P11712	CHEMBL452101	Oc1ccc(\C=C\2/CC\C(=C/c3ccc(O)cc3)\C2=O)cc1	45603691.6	nM
P11712	CHEMBL1230001	OC(=O)c1ccccc1NC(=O)N2CCC(CC2)c3ccccc3C(F)(F)F	100000	nM
P11712	CHEMBL178781	Cc1cn(cn1)c2cccnc2	300000	nM
P11712	CHEMBL320105	CCCCCCOc1ccc(cn1)n2ccnc2	100000	nM
P11712	CHEMBL103651	Cc1ccccc1\N=C\NO	77000	nM
P11712	CHEMBL446083	CN1C(=O)CCc2cc(ccc12)c3cccnc3	125000	nM
P11712	CHEMBL497137	CCc1cc(\C=C\2/CC\C(=C/c3cc(CC)c(O)c(CC)c3)\C2=O)cc(CC)c1O	37670379.9	nM
P11712	CHEMBL225465	Fc1cc(Cl)ccc1Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F	100000	nM
P11712	CHEMBL497783	Clc1cccc(\C=C\C(=O)\C=C\c2cccc(Cl)c2)c1	21281390.46	nM
P11712	CHEMBL373751	COc1cc2ncn(c3cc(OCc4ccccc4S(=O)(=O)C)c(C#N)s3)c2cc1OC	50118.72	nM
P11712	CHEMBL147587	CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	75000	nM
P11712	CHEMBL147587	CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	75000	nM
P11712	CHEMBL178547	O\N=C\c1oc(cc1)c2cccnc2	86200	nM
P11712	CHEMBL179763	c1cncc(c1)c2cccnc2	300000	nM
P11712	CHEMBL361153	c1cncc(c1)c2ccsc2	96300	nM
P11712	CHEMBL498372	CC(C)(C)c1cc(\C=C\2/CC\C(=C/c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)\C2=O)cc(c1O)C(C)(C)C	55000	nM
P11712	CHEMBL498372	CC(C)(C)c1cc(\C=C\2/CC\C(=C/c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)\C2=O)cc(c1O)C(C)(C)C	54954087.39	nM
P11712	CHEMBL1085402	CC(Cc1cnn(c1C)c2ccc(O)cc2)C(=O)NC3=C(CCCC3)C(=O)O	100000	nM
P11712	CHEMBL391964	CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]2CN(C[C@@H]2c3ccc(F)cc3C)C(=O)C4CCN(CC4)C(=O)C	69000	nM
P11712	CHEMBL392464	CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@H](C2)c3ccc(F)cc3C)c4onc(n4)C(C)(C)c5cc(cc(c5)C(F)(F)F)C(F)(F)F	89000	nM
P11712	CHEMBL502824	COc1ccc2cc(ccc2c1)c3cncc(c3)C(=O)C	200000	nM
P11712	CHEMBL1801160	OC(=O)[C@@H]1C[C@H]1c2ccc(cc2F)c3cccc(c3)N4C=C(C(=O)NC5CC5)C(=O)c6cccnc46	100000	nM
P11712	CHEMBL564840	Cl.OC[C@H](O)CN1C(=O)N(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C35CC5)CC2)c6ccccc16	100000	nM
P11712	CHEMBL240185	OC=O.Fc1ccc(cc1)C(=O)N2CCN(C(=O)C2)c3ccc(OCCCN4CCCCC4)cc3	100000	nM
P11712	CHEMBL1784169	Cc1nc(CNC(=O)c2ccc(cc2)c3cc(cc(F)c3C)C(=O)NC4CC4)cs1	100000	nM
P11712	CHEMBL1784170	COCCNC(=O)c1ccc(cc1)c2cc(cc(F)c2C)C(=O)NC3CC3	63095.73	nM
P11712	CHEMBL1795039	O\N=C/c1oc(cc1)c2cccnc2.O\N=C\c3oc(cc3)c4cccnc4	141000	nM
P11712	CHEMBL1784172	Cc1c(F)cc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4	63095.73	nM
P11712	CHEMBL1923642	C[C@H]1N(C)C(=O)[C@@H](NCCOc2cc(F)ccc2CCCNC(=O)[C@@H](Cc3ccc(F)cc3)NC1=O)C4CC4	100000	nM
P11712	CHEMBL2023898	COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c2ncc([nH]2)c3ccc(cc3)c4ccc(cc4)c5cnc([nH]5)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C	59500	nM
P11712	CHEMBL2023898	COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c2ncc([nH]2)c3ccc(cc3)c4ccc(cc4)c5cnc([nH]5)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C	59500	nM
P11712	CHEMBL1923502	O.Cl.C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)NCCCc4ccccc4O1	66000	nM
P11712	CHEMBL1956397	NC(=O)C[S+]([O-])Cc1ccccc1c2ccc(Cl)cc2	129000	nM
P11712	CHEMBL1956397	NC(=O)C[S+]([O-])Cc1ccccc1c2ccc(Cl)cc2	233000	nM
P11712	CHEMBL2107826	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)cc2)N1)c5ccccc5	100000	nM
P11712	CHEMBL1229211	C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O	100000	nM
P11712	CHEMBL1229211	C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O	100000	nM
P11712	CHEMBL2159084	CN(Cc1cccn1C)C(=O)C23CC4CC(CC(C4)C2)C3	100000	nM
P11712	CHEMBL2062151	NC(=O)[C@H]1CN(C(=O)O1)c2ccc(C3CC[S+]([O-])CC3)c(F)c2	900000	nM
P11712	CHEMBL2037511	CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c3ccc(C)nc3C)C(=O)[C@H](NC1=O)C4Cc5ccccc5C4	100000	nM
P11712	CHEMBL2315239	NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc3)cc1.OC(=O)C(F)(F)F	100000	nM
P11712	CHEMBL2315243	NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc3)cc1.OC(=O)C(F)(F)F	100000	nM
P11712	CHEMBL2170754	Cc1ccc(cc1O)C(=O)c2nc3ccc(O)cc3s2	54000	nM
P11712	CHEMBL2170747	Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1	54000	nM
P11712	CHEMBL2170750	Oc1ccc2nc(sc2c1)C(=O)c3ccc(F)c(O)c3	54000	nM
P11712	CHEMBL2409564	OC(=O)CC1CCC(CC1)c2ccc(cc2)c3nc4cc(NC(=O)c5nc(oc5C(F)(F)F)c6ccccc6)ccc4[nH]3	100000	nM
P11712	CHEMBL2347323	COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c2nc(Br)c([nH]2)c3ccc(cc3)N=[N+]=[N-]	50500	nM
P11712	CHEMBL2347159	COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c2ncc([nH]2)c3ccc(cc3)N=[N+]=[N-]	100000	nM
P11712	CHEMBL2434978	OC(=O)c1ccc(Sc2ccc(CN3CCC(CC3)N4[C@@H](CN(C5CCOCC5)C4=O)c6ccccc6)cn2)cc1	60000	nM
P11712	CHEMBL2435853	Cc1nc(Oc2ccc(cc2)C(=O)O)ccc1CN3CCC(CC3)N4[C@@H](CN(C5CCOCC5)C4=O)c6cccc(Cl)c6	100000	nM
P11712	CHEMBL2435856	CCc1nc(Oc2ccc(cc2)C(=O)O)ccc1CN3CCC(CC3)N4[C@@H](CN(C5CCOCC5)C4=O)c6ccccc6	73000	nM
P11712	CHEMBL2442750	Cc1c(CC(=O)O)c2cccnc2n1Cc3ccc(cc3)S(=O)(=O)C	100000	nM
P11712	CHEMBL3128180	Cc1nc2[C@@H](CCc2s1)C(=O)Nc3ccc(C[C@@H]4CC[C@@H](N4)[C@H](O)c5cccnc5)cc3	67200	nM
P11712	CHEMBL3142403	Cl.Cl.CN1CCC[C@H]1CCN2CCCc3cc(NC(=N)c4cccs4)ccc23	100000	nM
P11712	CHEMBL3219283	Br.CN(C)Cc1cc2c(NC(=O)c3cccc(O)c23)s1	200000	nM
P11712	CHEMBL3092189	CNS(=O)(=O)Nc1cccc(CC2=C(C)c3ccc(OC(=O)N(C)C)cc3OC2=O)c1	96000	nM
P11712	CHEMBL3109984	Cc1oc(cn1)c2ccc(cc2)[C@H]3[C@@H]([C@@H]3c4ccccc4)C(=O)NO	100000	nM
P11712	CHEMBL3087669	C[C@H]1CCCN1[C@H]2CCN(C2)c3ccc(NC(=O)c4c(C)onc4C)c(C)c3	100000	nM
P11712	CHEMBL3128188	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c5cccnc5	100000	nM
P11712	CHEMBL3128188	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c5cccnc5	100000	nM
P11712	CHEMBL3128178	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c5cccnc5	100000	nM
P11712	CHEMBL3128178	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c5cccnc5	100000	nM
P11712	CHEMBL3128194	Nc1nc2[C@@H](CCc2s1)C(=O)Nc3ccc(C[C@@H]4CC[C@@H](N4)[C@H](O)c5ccccc5)cc3	100000	nM
P11712	CHEMBL3264002	CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccn4)cc3OC2=O)c1F	60000	nM
P11712	CHEMBL3217198	Cl.Cl.N=C(Nc1ccc2N(CCCc2c1)C3CCNCC3)c4cccs4	100000	nM
P11712	CHEMBL3216551	Cl.Cl.CN1CCC(=CC1)c2c[nH]c3ccc(NC(=N)c4occc4)cc23	100000	nM
P11712	CHEMBL3216770	Cl.Cl.CN(C)CCN1C(=O)CCc2cc(NC(=N)c3cccs3)ccc12	100000	nM
P11712	CHEMBL3262163	Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc3cccnc3)cc1	100000	nM
P11712	CHEMBL3263996	CNS(=O)(=O)Nc1cc(CC2=C(C)c3ccc(OC(=O)N(C)C)cc3OC2=O)ccn1	100000	nM
P11712	CHEMBL3263996	CNS(=O)(=O)Nc1cc(CC2=C(C)c3ccc(OC(=O)N(C)C)cc3OC2=O)ccn1	100000	nM
P11712	CHEMBL3216112	Cl.Cl.CN1CCC[C@@H]1CCN2CCCc3cc(NC(=N)c4cccs4)ccc23	100000	nM
P11712	CHEMBL3236948	CC(C)N1C=C(c2ccccc2C1=O)c3c(C)n(CC(=O)O)c4ccc(F)cc34	55000	nM
P11712	CHEMBL3216313	Cl.Cl.CN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12	100000	nM
P11712	CHEMBL3321835	CN(C1CCN(CC1)C(=O)OC(C)(C)C)c2ncnc3c(csc23)c4ccc(cc4F)S(=O)(=O)C	76850	nM
P11712	CHEMBL3301607	O=C(Nc1nc2cccc(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C5CC5	70000	nM
P11712	CHEMBL3311224	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(cc4)C(F)(F)F	60000	nM
P11712	CHEMBL3311228	O[C@@](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(OCC(F)(F)F)cc4	99000	nM
P11712	CHEMBL3311223	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(cc4)C#N	60000	nM
P11712	CHEMBL3287849	O=C1NOC(=C1)[C@H]2CCN[C@@H](Cc3ccccc3)C2	20000000	nM
P11712	CHEMBL3287851	CC(C)(C)C[C@H]1C[C@H](CCN1)C2=CC(=O)NO2	20000000	nM
P11712	CHEMBL3287854	O=C1NOC(=C1)[C@H]2CCN[C@@H](CCc3ccccc3)C2	20000000	nM
P11712	CHEMBL3350936	N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(O)(CC(O)(C5)C3)C4	200000	nM
P11712	CHEMBL3350936	N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(O)(CC(O)(C5)C3)C4	200000	nM
P11712	CHEMBL3298910	CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5	100000	nM
P11712	CHEMBL3422000	Cc1cccc(n1)c2nnc3CN(CCn23)C(=O)c4ccc(F)cc4	100000	nM
P11712	CHEMBL3582240	CC1(C)CC[C@]23CC[C@@]4(C)[C@]5(C)CC[C@H]6C(C)(C)C(=O)C(=C[C@]6(C)C5=CC(=O)[C@@]4([C@@H]2C1)N(C7CCCCC7)C3=O)C#N	100000	nM
P11712	CHEMBL3527048	Cc1ccc(cc1)c2c(cnn2C)c3nn(C)c4ncnc(N5CC[C@@H](C5)N6CCCCC6)c34	100000	nM
P11712	CHEMBL3421983	Fc1ccc(cc1)C(=O)N2CCn3c(C2)nnc3c4ccccn4	66000	nM
P11712	CHEMBL3422004	Fc1ccc(cc1)C(=O)N2CCn3c(C2)nnc3c4cccc(n4)C(F)(F)F	100000	nM
P11712	CHEMBL3422005	C[C@H]1N(CCn2c1nnc2c3csc(C)n3)C(=O)c4ccc(F)cc4	56000	nM
P11712	CHEMBL3608741	Cc1nsc(n1)c2nnc3[C@@H](CCO)N(CCn23)C(=O)c4ccc(F)cc4	77000	nM
P11712	CHEMBL3608683	CC(C)c1noc(n1)c2nnc3[C@@H](C)N(CCn23)C(=O)c4ccc(F)cc4	64000	nM
P11712	CHEMBL3608684	Cc1nsc(n1)c2nnc3CN(CCn23)C(=O)c4ccc(F)cc4	82000	nM
P11712	CHEMBL3672842	CCN(C1CCOCC1)c2cc(cc(C(=O)NCC3=C(C)C=C(C)NC3=O)c2C)C#CC4CCN(C)CC4	75660	nM
P11712	CHEMBL3633460	COc1ccc(Cl)cc1C2=CC(=O)NC(=S)N2CC(=O)N	100000	nM
P11712	CHEMBL3633460	COc1ccc(Cl)cc1C2=CC(=O)NC(=S)N2CC(=O)N	100000	nM
P11712	CHEMBL3672840	CCN([C@@H]1CC[C@H](CC1)N(C)C)c2cc(cc(C(=O)NCC3=C(C)C=C(C)NC3=O)c2C)c4ccc(OCCOC)cc4	100000	nM
P11712	CHEMBL3672841	CCN([C@@H]1CC[C@H](CC1)N(C)CCOC)c2cc(cc(C(=O)NCC3=C(C)C=C(C)NC3=O)c2C)C#CCN4CCOCC4	100000	nM
P11712	CHEMBL3764774	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)CN3C=Nc4ccccc4C3=O)cc2)N1)c5ccccc5	100000	nM
P11712	CHEMBL3764088	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)CN3N=CC=CC3=O)cc2)N1)c4ccccc4	100000	nM
P11712	CHEMBL3763594	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)CN3C=CC=NC3=O)cc2)N1)c4ccccc4	100000	nM
P11712	CHEMBL3828718	COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(oc2C)c3ccc(Cl)cc3)ccc1F	150000	nM
P27338	CHEMBL291647	COc1ccc(cc1)C2CC(=NN2C(=O)C)c3ccc(O)cc3O	83000	nM
P27338	CHEMBL7976	O=C(\C=C\c1ccccc1)c2ccccc2	1412537.54	nM
P27338	CHEMBL1272000	CC(=CCOc1ccc(C2=NN(C(C2)c3ccccc3)C(=S)N)c(O)c1)C	52480.75	nM
P27338	CHEMBL500248	COc1ccc(cc1OC)[C@@]2(F)C[C@H]2N	470000	nM
P27338	CHEMBL472218	O=C(Nc1ccccc1Cc2ccccc2)C3=Cc4ccc(OCc5ccccc5)cc4OC3=O	63520	nM
P27338	CHEMBL349376	CN(C(=O)C1=CC(=O)c2ccccc2O1)c3ccccc3	100000	nM
P27338	CHEMBL459523	CC1=CC(=O)Oc2c(C)c(O)ccc12	71320	nM
P27338	CHEMBL63223	CC(=O)N1N=C(CC1c2ccccc2Cl)c3ccc(O)cc3	89000	nM
P27338	CHEMBL488266	COc1c(O)ccc2C3=C(CCCC3)C(=O)Oc12	50200	nM
P27338	CHEMBL489719	COc1ccc(cc1)C(=O)\C=C\c2ccc(Cl)cc2	53703.18	nM
P27338	CHEMBL490752	Oc1cc(F)ccc1C(=O)\C=C\c2ccc(Cl)cc2	70794.58	nM
P27338	CHEMBL511011	COc1ccc(\C=C\2/COc3ccccc3C2=O)cc1	58884.37	nM
P27338	CHEMBL451747	COc1ccc(\C=C\2/COc3ccccc3C2=O)c(OC)c1	245470.89	nM
P27338	CHEMBL487071	CC1=CC(=O)Oc2c(C)c3oc4CCCc4c3cc12	73200	nM
P27338	CHEMBL164781	CCOC(=O)C1=CC(=O)c2ccccc2O1	100000	nM
P27338	CHEMBL506	COc1cc(NC(C)CCCN)c2ncccc2c1	94500	nM
P27338	CHEMBL1061	Oc1ccc(CC2SC(=O)NC2=O)cc1	225000	nM
P27338	CHEMBL468855	COc1ccc(cc1OC)[C@@]2(F)C[C@@H]2N	230000	nM
P27338	CHEMBL487236	COc1c2C=CC(=O)Oc2cc3occ(C)c13	260000	nM
P27338	CHEMBL13311	O=C1C=COc2ccccc12	54900	nM
P27338	CHEMBL489720	COc1ccc(cc1)C(=O)\C=C\c2ccc(OCc3ccccc3)cc2	446683.59	nM
P27338	CHEMBL490923	CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c2ccc(Cl)cc2	467735.14	nM
P27338	CHEMBL446785	C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)\C=C\C=C(/C)\C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O	128000	nM
P27338	CHEMBL471447	O=C(NC1CCCCC1)C2=Cc3ccc(OCc4ccccc4)cc3OC2=O	64450	nM
P27338	CHEMBL1253334	COc1ccc(cc1)C2=NN(CC2C)C(=S)N	84640	nM
P27338	CHEMBL1642681	Cl.Nc1ccc(CCc2ccccc2)cc1	135000	nM
P27338	CHEMBL1642682	Cl.Nc1cccc(CCc2ccccc2)c1	115000	nM
P27338	CHEMBL1222282	OC(=O)c1cccc(c1)\N=C\2/SC(=O)NC2=O	56000	nM
P27338	CHEMBL418480	CC(=O)N1N=C(CC1c2ccc(Cl)cc2)c3ccc(O)cc3O	120000	nM
P27338	CHEMBL536059	Cl.NNCC(=C)c1ccc(F)cc1	81000	nM
P27338	CHEMBL489718	CC(=CCOc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1)C	1258925.41	nM
P27338	CHEMBL1254623	[Cl-].Cc1cc2cc(NC(=O)c3ccc[n+](C)c3)ccc2[nH]1	92620	nM
P27338	CHEMBL461133	O=C1c2ccccc2c3nccc4cccc1c34	100000	nM
P27338	CHEMBL1458820	OC(=O)C1=CC(=O)c2cc(Cl)ccc2O1	1000000	nM
P27338	CHEMBL277294	O=C1NC(=O)c2ccccc12	134000	nM
P27338	CHEMBL293004	COc1ccccc1C2CC(=NN2C(=O)C)c3ccc(O)cc3	100000	nM
P27338	CHEMBL1642683	Nc1cccc(Oc2ccccc2)c1	140000	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	71500	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	60000	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	54300	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	65800	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61659.5	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	63410	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	63410	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61356	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL8706	CN(CCCOc1ccc(Cl)cc1Cl)CC#C	61350	nM
P27338	CHEMBL303112	COc1ccccc1C2CC(=NN2C(=O)C)c3ccc(O)cc3O	130000	nM
P27338	CHEMBL452004	Clc1ccc(\C=C\2/COc3ccccc3C2=O)cc1	154881.66	nM
P27338	CHEMBL249550	Nc1ccc(Oc2ccccc2)cc1	303000	nM
P27338	CHEMBL1081550	NC(=S)N1N=C(CC1c2occc2)c3ccc[nH]3	69380	nM
P27338	CHEMBL450771	CC(=CCOc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1)C	18620871.37	nM
P27338	CHEMBL1253281	CNC(=S)N1CCC(=N1)c2cccc(C)c2	53380	nM
P27338	CHEMBL1391898	CC(=O)N1N=C(OC1c2ccc(C)cc2)c3ccc(C)cc3	66640	nM
P27338	CHEMBL1087459	CN1CCc2c(C1)n(CCCCCCCCCn3c4CN(C)CCc4c5ccccc35)c6ccccc26	150000	nM
P27338	CHEMBL1271892	COc1ccc(cc1)C2CC(=NN2C(=O)C)c3ccc(OCC=C(C)C)cc3O	60255.96	nM
P27338	CHEMBL1215658	N[C@@H]1C[C@H]1c2ccc(OCC[C@H](NC(=O)c3ccccc3)C(=O)NCc4ccccc4)cc2	1000000	nM
P27338	CHEMBL75228	C(Cc1ccccc1)N2CCCCC2	761500	nM
P27338	CHEMBL1605826	COc1ccccc1CNc2n[nH]c(NCc3ccccc3OC)n2	100000	nM
P27338	CHEMBL1253283	CNC(=S)N1CCC(=N1)c2cccc(OC)c2	71300	nM
P27338	CHEMBL241861	Oc1ccccc1C(=O)\C=C\c2ccc(Cl)cc2	158489.32	nM
P27338	CHEMBL469571	Cc1cccc(Cl)c1NC(=O)C2=Cc3ccc(OCc4ccccc4)cc3OC2=O	61490	nM
P27338	CHEMBL491888	CC(=CCOc1ccc(C(=O)\C=C\c2ccc(C)cc2)c(O)c1)C	1023292.99	nM
P27338	CHEMBL12208	CC1=CC(=O)Oc2cc(O)ccc12	80410	nM
P27338	CHEMBL58343	NCCCCNC(=N)N	100000	nM
P27338	CHEMBL1098471	C(CCCCn1c2ccccc2c3ccncc13)CCCCn4c5ccccc5c6ccncc46	150000	nM
P27338	CHEMBL519426	COc1c(OC2CCCC2=O)ccc3C=CC(=O)Oc13	856000	nM
P27338	CHEMBL1254551	Cc1cc2cc(NC(=O)c3cccc(c3)S(=O)(=O)O)ccc2[nH]1	175940	nM
P27338	CHEMBL490922	Fc1ccc(cc1)C(=O)\C=C\c2ccc(OCc3ccccc3)cc2	501187.23	nM
P27338	CHEMBL402456	C(Nc1ccccc1)c2ccccn2	182000	nM
P27338	CHEMBL1253264	CNC(=S)N1CCC(=N1)c2ccc(F)cc2	50950	nM
P27338	CHEMBL1080448	Cc1ccc(cc1)C2CC(=NN2C(=S)N)c3occc3	54510	nM
P27338	CHEMBL1766556	COc1cc(\C=C\2/COc3ccccc3C2=O)ccc1O	104712.85	nM
P27338	CHEMBL1383041	Oc1ccc(\C=C\2/COc3ccccc3C2=O)cc1	54954.09	nM
P27338	CHEMBL1651054	COc1cc2CCN=C3c4ccccc4C(=O)c(c1)c23	100000	nM
P27338	CHEMBL1651055	COc1cc2C(=O)c3ccccc3c4nccc(c1)c24	100000	nM
P27338	CHEMBL1766612	COc1cccc(\C=C\2/COc3ccccc3C2=O)c1OC	1905460.72	nM
P27338	CHEMBL1766553	Clc1ccc2OC\C(=C/c3ccccc3)\C(=O)c2c1	331131.12	nM
P27338	CHEMBL1766554	Nc1ccc(\C=C\2/COc3ccccc3C2=O)cc1	870963.59	nM
P27338	CHEMBL1766555	CC(=O)Nc1ccc(\C=C\2/COc3ccccc3C2=O)cc1	1071519.31	nM
P27338	CHEMBL1766620	COc1ccc(CC2=COc3ccccc3C2=O)cc1	21379620.9	nM
P27338	CHEMBL1814646	CC(=O)c1ccc(CC2SC(=N)NC2=O)cc1	308900	nM
P27338	CHEMBL1766558	Oc1ccc(\C=C\2/COc3ccccc3C2=O)cc1O	141253.75	nM
P27338	CHEMBL1766622	O=C1C(Cc2ccccc2)COc3ccccc13	58884365.54	nM
P27338	CHEMBL1766622	O=C1C(Cc2ccccc2)COc3ccccc13	58530	nM
P27338	CHEMBL1766557	COc1ccc(\C=C\2/COc3ccccc3C2=O)cc1O	478630.09	nM
P27338	CHEMBL1766562	COc1ccc(\C=C\2/COc3ccccc3C2=O)c(O)c1	1318256.74	nM
P27338	CHEMBL1766619	Clc1ccc(CC2=COc3cc(Cl)cc(Cl)c3C2=O)cc1	436515.83	nM
P27338	CHEMBL1766560	Oc1ccc(\C=C\2/COc3ccccc3C2=O)cc1[N+](=O)[O-]	489778.82	nM
P27338	CHEMBL1766561	Nc1cc(\C=C\2/COc3ccccc3C2=O)ccc1O	478630.09	nM
P27338	CHEMBL1766613	COc1cc(\C=C\2/COc3ccccc3C2=O)cc(OC)c1OC	20892961.31	nM
P27338	CHEMBL1766626	Clc1ccc(CC2COc3cc(Cl)cc(Cl)c3C2=O)cc1	4570881.9	nM
P27338	CHEMBL1766614	COc1ccc(\C=C\2/COc3ccccc3C2=O)c(OC)c1OC	1318256.74	nM
P27338	CHEMBL1766625	Clc1ccc(CC2COc3ccc(Cl)cc3C2=O)cc1	3090295.43	nM
P27338	CHEMBL1814648	OC(=O)c1ccc(cc1)\N=C/2\SC(=O)NC2=O	56000	nM
P27338	CHEMBL1796807	Oc1cc(Br)cc2C=C(C(=O)c3ccccc3)C(=O)Oc12	73920	nM
P27338	CHEMBL1766624	Clc1ccc(CC2COc3ccccc3C2=O)cc1	7413102.41	nM
P27338	CHEMBL1830834	[O-][N+](=O)c1ccc(NNC(=O)C2=Cc3ccccc3OC2=O)c(c1)[N+](=O)[O-]	56120	nM
P27338	CHEMBL1766549	O=C1\C(=C\c2ccccc2)\COc3ccccc13	478630.09	nM
P27338	CHEMBL1830793	CC(=O)C1=Cc2cc(O)ccc2OC1=O	64170	nM
P27338	CHEMBL1797639	NC1CC1c2cccc(OCC[C@H](NC(=O)c3ccccc3)C(=O)NCc4ccccc4)c2	500000	nM
P27338	CHEMBL553631	Cl.Cc1ccccc1C(=C)CNN	90000	nM
P27338	CHEMBL536057	Cl.NNCC(=C)c1ccccc1	71000	nM
P27338	CHEMBL1823533	COc1ccc(cc1)C2OC(=NN2C(=O)C)c3ccc(C)cc3	74700	nM
P27338	CHEMBL1823810	OC(=O)CCN1C(=S)S\C(=C\c2ccccc2)\C1=O	604300	nM
P27338	CHEMBL1814647	OC(=O)C(Cc1ccc(O)cc1)N2C(=O)CSC2=S	272900	nM
P27338	CHEMBL1891947	OCC1=CC(=O)c2ccccc2O1	100000	nM
P27338	CHEMBL1835233	COc1cc(OC)c(Br)c(c1)C2=Cc3cc(C)ccc3OC2=O	54030	nM
P27338	CHEMBL1938477	COc1ccc(CCN2CCC=CC2)cc1OC	1362900	nM
P27338	CHEMBL1938478	C(CN1CCC=CC1)Cc2ccccc2	812500	nM
P27338	CHEMBL1938482	CC1=CCN(CCc2ccccc2)CC1	1245100	nM
P27338	CHEMBL1938483	Clc1ccc(OCCCN2CCC=CC2)c(Cl)c1	66400	nM
P27338	CHEMBL1938481	C(N1CCC=CC1)c2ccccc2	6536800	nM
P27338	CHEMBL1938475	Fc1ccc(CCN2CCC=CC2)cc1	5265900	nM
P27338	CHEMBL1938476	COc1ccc(CCN2CCC=CC2)cc1	96100	nM
P27338	CHEMBL1938474	C(Cc1ccccc1)N2CCC=CC2	1184400	nM
P27338	CHEMBL1938480	[O-][N+](=O)c1ccc(CCN2CCC=CC2)cc1	271900	nM
P27338	CHEMBL1917529	Oc1cc2C(=O)c3ccccc3c4nccc(c1)c24	100000	nM
P27338	CHEMBL1917528	COc1cc2ccnc3c4ccccc4C(=O)c(c1O)c23	100000	nM
P27338	CHEMBL1917526	O=C1c2ccccc2C3=NCCc4cccc1c34	100000	nM
P27338	CHEMBL1917527	COc1cc2CCN=C3c4ccccc4C(=O)c(c1O)c23	100000	nM
P27338	CHEMBL1917530	COC1=Cc2ccnc3c4ccccc4cc(C1=O)c23	100000	nM
P27338	CHEMBL1917495	COc1ccc(cc1)C2=C(O)c3ccccc3OC2=O	69590	nM
P27338	CHEMBL1938479	Clc1ccc(CCN2CCC=CC2)c(Cl)c1	67200	nM
P27338	CHEMBL1982267	CSC1=N\C(=C/c2c[nH]c3ccccc23)\C(=O)N1	59333	nM
P27338	CHEMBL2088318	CN1C(=O)N(C)c2nc(CCSc3ccccc3)n(C)c2C1=O	108000	nM
P27338	CHEMBL2058419	CN1C(=N)N(C)\C(=C\c2c[nH]c3cccc(Br)c23)\C1=O	51167	nM
P27338	CHEMBL2088322	CN1C(=O)N(C)c2nc(CCSc3ccc(Br)cc3)n(C)c2C1=O	124000	nM
P27338	CHEMBL2088320	CN1C(=O)N(C)c2nc(CCSc3cccc(Br)c3)n(C)c2C1=O	64100	nM
P27338	CHEMBL2058407	CN1C(=N)NC(=O)/C/1=C\c2c[nH]c3cccc(Br)c23	100000	nM
P27338	CHEMBL2334496	CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc2cn(CC3=CC(=O)Oc4cc(O)ccc34)nn2	1250000	nM
P27338	CHEMBL2326864	CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)cs1	60000	nM
P27338	CHEMBL2326864	CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)cs1	100000	nM
P27338	CHEMBL2206101	CN1C(=O)N(C)c2nc([S+]([O-])Cc3ccccc3)n(C)c2C1=O	131000	nM
P27338	CHEMBL2334501	Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1	1250000	nM
P27338	CHEMBL2312485	OC(=O)C1=COc2ccc(Cl)cc2C1=O	1000000	nM
P27338	CHEMBL2334497	CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc2cn(Cc3ccccc3F)nn2	790700	nM
P27338	CHEMBL2376160	Cl.CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(Cc3ccc(cc3)S(=O)(=O)C)s1	100000	nM
P27338	CHEMBL2430710	Oc1ccc2NC(=O)CCc2c1	201000	nM
P27338	CHEMBL2238457	CC(C)(C)OC(=O)NCCCCCCNCC(=O)N	54300	nM
P27338	CHEMBL3127978	Cn1c(CNc2ccccc2)cc3cc(OCCCC4CCN(Cc5ccccc5)CC4)ccc13	100000	nM
P27338	CHEMBL3127978	Cn1c(CNc2ccccc2)cc3cc(OCCCC4CCN(Cc5ccccc5)CC4)ccc13	100000	nM
P27338	CHEMBL3127975	Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)NCC#C	100000	nM
P27338	CHEMBL3127976	Cn1c(CO)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12	100000	nM
P27338	CHEMBL3219617	C(=N\c1ccccc1)/c2ccccn2	1300000	nM
P27338	CHEMBL3133309	COc1cc(OC)cc(\C=C\c2ccc(OCCCCCCCCN(C)Cc3ccccc3)cc2)c1	100000	nM
P27338	CHEMBL3133311	CCN(CCCCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1)Cc3ccccc3OC	100000	nM
P27338	CHEMBL3133313	CCN(CCCCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1)Cc3ccc(OC)cc3	100000	nM
P27338	CHEMBL3133243	CCCN(CCC)CCCCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1	92430	nM
P27338	CHEMBL3133248	COc1cc(OC)cc(\C=C\c2ccc(OCCCCCCN3CCOCC3)cc2)c1	100000	nM
P27338	CHEMBL3133310	CCN(CCCCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1)Cc3ccccc3	58310	nM
P27338	CHEMBL3133308	COc1cc(OC)cc(\C=C\c2ccc(OCCCCCCCN(C)Cc3ccccc3)cc2)c1	63770	nM
P27338	CHEMBL3133314	CCN(CCCCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1)Cc3ccccc3F	100000	nM
P27338	CHEMBL3133312	CCN(CCCCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1)Cc3cccc(OC)c3	100000	nM
P27338	CHEMBL3133239	CCN(CCCCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1)Cc3cccc(F)c3	97510	nM
P27338	CHEMBL3133240	CCN(CCCCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1)Cc3ccc(F)cc3	100000	nM
P27338	CHEMBL3133249	COc1cc(OC)cc(\C=C\c2ccc(OCCN(C)Cc3ccccc3)cc2)c1	89040	nM
P27338	CHEMBL2238456	NCCCCCCNCC(=O)N	79500	nM
P27338	CHEMBL3108952	Cl.N[C@@H]1C[C@H]1c2ccc(NC(=O)c3ccc(O)c4ncccc34)cc2	81000	nM
P27338	CHEMBL3113643	FC(F)(F)Oc1ccc2OC(=O)C(=Cc2c1)CN3CCCC3	100000	nM
P27338	CHEMBL3113644	Nc1ccc2OC(=O)C(=Cc2c1)CN3CCCC3	100000	nM
P27338	CHEMBL3113642	FC(F)(F)c1ccc2OC(=O)C(=Cc2c1)CN3CCCC3	100000	nM
P27338	CHEMBL3127973	Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)Nc5ccccc5	100000	nM
P27338	CHEMBL3127971	Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)O	100000	nM
P27338	CHEMBL3127977	Cn1c(CNCc2ccccc2)cc3cc(OCCCC4CCN(Cc5ccccc5)CC4)ccc13	100000	nM
P27338	CHEMBL3127977	Cn1c(CNCc2ccccc2)cc3cc(OCCCC4CCN(Cc5ccccc5)CC4)ccc13	100000	nM
P27338	CHEMBL3127969	COc1ccc2c(c1)cc(C(=O)NCc3ccccc3)n2C	100000	nM
P27338	CHEMBL3113640	O=C1Oc2ccccc2C=C1CN3CCCC3	100000	nM
P27338	CHEMBL3104250	C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N2CCOCC2)\c3cc(Cl)ccc3O	300000	nM
P27338	CHEMBL3104250	C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N2CCOCC2)\c3cc(Cl)ccc3O	300000	nM
P27338	CHEMBL3113639	CCCNCC1=Cc2ccccc2OC1=O	62300	nM
P27338	CHEMBL3113645	Oc1ccc2OC(=O)C(=Cc2c1)CN3CCCC3	100000	nM
P27338	CHEMBL3127974	Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)N5CCOCC5	100000	nM
P27338	CHEMBL3124971	COc1ccc2c(c1)cc(CNCc3ccccc3)n2C	100000	nM
P27338	CHEMBL3124971	COc1ccc2c(c1)cc(CNCc3ccccc3)n2C	100000	nM
P27338	CHEMBL3127972	Cn1c(cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12)C(=O)NCc5ccccc5	100000	nM
P27338	CHEMBL3113646	COc1ccc2OC(=O)C(=Cc2c1)CN3CCCC3	100000	nM
P27338	CHEMBL3113648	O=C1Oc2ccc(OCc3ccccc3)cc2C=C1CN4CCCC4	100000	nM
P27338	CHEMBL3113641	[O-][N+](=O)c1ccc2OC(=O)C(=Cc2c1)CN3CCCC3	100000	nM
P27338	CHEMBL3127970	CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C	100000	nM
P27338	CHEMBL3127966	Cn1c(CN2CCOCC2)cc3cc(OCCCC4CCN(Cc5ccccc5)CC4)ccc13	100000	nM
P27338	CHEMBL3220512	COc1cc(cc(OC)c1OC)C(=O)NC2=Cc3ccccc3OC2=O	72580	nM
P27338	CHEMBL3220511	COc1ccc(cc1OC)C(=O)NC2=Cc3ccccc3OC2=O	58380	nM
P27338	CHEMBL3261208	COc1ccccc1NC(=O)C2=Cc3cc(ccc3OC2=O)[N+](=O)[O-]	50030	nM
P27338	CHEMBL3288306	Oc1ccc2C(=O)CCCc2c1	66400	nM
P27338	CHEMBL3330332	Cl.N[C@]1(Cc2ccccc2)C[C@@H]1c3ccccc3	50500	nM
P27338	CHEMBL3330342	Cl.N[C@@]1(Cc2ccccc2)C[C@@H]1c3ccccc3	74300	nM
P27338	CHEMBL3299039	CC1=C(\C=N\NC(=S)N)C(C)(C)CC=C1	74500	nM
P27338	CHEMBL3299041	CC1=C(\C=N\NC(=S)Nc2ccccc2)C(C)(C)CC=C1	224000	nM
P27338	CHEMBL3299042	CC1=C(\C=N\N=C/2\NC(=O)CS2)C(C)(C)CC=C1	168000	nM
P27338	CHEMBL3299043	CC1=C(\C=N\N=C\2/SCC(=O)N2Cc3ccccc3)C(C)(C)CC=C1	215000	nM
P27338	CHEMBL3299038	CC1=C(\C=N\NC(=O)N)C(C)(C)CC=C1	111000	nM
P27338	CHEMBL3299040	CN(\N=C\C1=C(C)C=CCC1(C)C)C(=S)N	117000	nM
P27338	CHEMBL3416429	Cl.N[C@@H]1C[C@H]1c2cccc(NC(=O)c3ccccc3)c2	84700	nM
P27338	CHEMBL3416434	Cl.N[C@H]1C[C@H]1c2cccc(NC(=O)c3ccccc3)c2	80070	nM
P27338	CHEMBL3402050	CC(C)C[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN2CC=CC2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(=O)O	100000	nM
P27338	CHEMBL3402054	C[C@H](O)[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCNC1CC1c2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O	100000	nM
P27338	CHEMBL3415352	COc1cc(cc(OC)c1OC)c2nc(SCC#C)nc(NNC(=S)N)c2C#N	1250000	nM
P27338	CHEMBL3398533	Cn1c(c(Cl)c2cc(C#N)c(cc12)C#N)c3ccccc3	100000	nM
P27338	CHEMBL3398524	Cn1c(c(Cl)c2cc(C#N)c(cc12)C#N)c3cccs3	100000	nM
P27338	CHEMBL3398522	COc1ccc(cc1)c2c(Cl)c3cc(C#N)c(cc3n2C)C#N	100000	nM
P27338	CHEMBL3402049	CC(C)C[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC2CC2c3ccccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(=O)O	100000	nM
P27338	CHEMBL3398528	COc1ccc(cc1)c2c(Br)c3cc(C#N)c(cc3n2OC)C#N	100000	nM
P27338	CHEMBL3402047	CC(C)C[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN2CC=CC2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(=O)O	100000	nM
P27338	CHEMBL3398523	Cc1ccc(cc1)c2c(Cl)c3cc(C#N)c(cc3n2C)C#N	100000	nM
P27338	CHEMBL3402055	C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCCNC1CC1c2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)O	100000	nM
P27338	CHEMBL3402051	CC(C)C[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN2CCC=CC2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(=O)O	100000	nM
P27338	CHEMBL3394497	Cc1ccc(cc1)C2=NN(C(C2)c3cc(Cl)ccc3O)C(=O)CN4CCCCC4	56210	nM
P27338	CHEMBL3394493	Oc1ccccc1C2CC(=NN2C(=O)CN3CCCCC3)c4ccccc4	50580	nM
P27338	CHEMBL3394505	COc1ccc(cc1)C2=NN(C(C2)c3cc(Cl)ccc3O)C(=O)CN4CCOCC4	56500	nM
P27338	CHEMBL3394508	Oc1ccc(Cl)cc1C2CC(=NN2C(=O)CN3CCOCC3)c4ccc(Cl)cc4	55100	nM
P27338	CHEMBL3402046	CC(C)C[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCNC2CC2c3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(=O)O	100000	nM
P27338	CHEMBL3402052	C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCNC1CC1c2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	100000	nM
P27338	CHEMBL3394521	CC1=NN(C(C1)c2cc(Br)cc(Br)c2O)C(=O)CN3CCC(=O)CC3	58940	nM
P27338	CHEMBL3394491	COc1ccc(cc1)C2=NN(C(C2)c3ccccc3O)C(=O)CN4CCCCC4	59400	nM
P27338	CHEMBL3402048	CC(C)C[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN2CCC=CC2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(=O)O	100000	nM
P27338	CHEMBL3402053	C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCNC1CC1c2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)O	100000	nM
P27338	CHEMBL3394516	Oc1ccc(Cl)cc1C2CC(=NN2C(=O)CN3CCNCC3)c4ccc(F)cc4	58910	nM
P27338	CHEMBL3394517	CC1=NN(C(C1)c2cc(Cl)ccc2O)C(=O)CN3CCCCC3	55850	nM
P27338	CHEMBL3394489	Oc1ccccc1C2CC(=NN2C(=O)CBr)c3ccc(F)cc3	52880	nM
P27338	CHEMBL3394511	Oc1ccccc1C2CC(=NN2C(=O)Cn3ccnc3)c4ccccc4	59400	nM
P27338	CHEMBL3407590	CN(CC#C)Cc1cc2cc(OCc3ccc(OC(=O)N(C)C)c4ncccc34)ccc2n1C	273100	nM
P27338	CHEMBL3407589	COc1ccc(COc2ccc3[nH]c(CN(C)CC#C)cc3c2)c4cccnc14	164700	nM
P27338	CHEMBL3629469	COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)C3=Cc4cc(OC)ccc4OC3=O)cc1	60000	nM
P27338	CHEMBL3629812	COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)C3=Cc4cc(Br)cc(OC)c4OC3=O)cc1	60000	nM
P27338	CHEMBL3629813	COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)C3=Cc4cc(CC=C)cc(OC)c4OC3=O)cc1	50520	nM
P27338	CHEMBL3629814	COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)C3=Cc4ccc(cc4OC3=O)N(C)C)cc1	60000	nM
P27338	CHEMBL3629805	COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)C3=Cc4cc(Cl)ccc4OC3=O)cc1	60000	nM
P27338	CHEMBL3629806	COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)C3=Cc4cccc(Br)c4OC3=O)cc1	60000	nM
P27338	CHEMBL3629807	COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)C3=Cc4ccc(Br)cc4OC3=O)cc1	55300	nM
P27338	CHEMBL3629808	COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)C3=Cc4cc(Br)ccc4OC3=O)cc1	60000	nM
P27338	CHEMBL3629809	CCOc1cccc2C=C(C(=O)\C=C\c3c(OC)cc(OC)cc3\C=C\c4ccc(OC)cc4)C(=O)Oc12	60000	nM
P27338	CHEMBL3682530	CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)\c2cc(Cl)ccc2O	300000	nM
P27338	CHEMBL3660729	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4CCNCC4	130000	nM
P27338	CHEMBL3660745	CC(O)C(=O)N1CC(C1)C#Cc2ccc3C(=O)C(=COc3c2)c4ccc(NS(=O)(=O)C)cc4	130000	nM
P27338	CHEMBL3621615	Nc1nnc(NCc2c(Cl)cccc2Oc3ccccc3)[nH]1	100000	nM
P27338	CHEMBL3667543	CN1C=CC(=CC1=O)c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2	130000	nM
P27338	CHEMBL3667544	Fc1cccc(F)c1C(=O)NCc2ccc(cc2)C3=CC(=O)NC=C3	130000	nM
P27338	CHEMBL3667545	Fc1cccc(Cl)c1C(=O)NCc2ccc(cc2)C3=CC(=O)NC=C3	130000	nM
P27338	CHEMBL3667547	FC1=CNC(=O)C=C1c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2	130000	nM
P27338	CHEMBL3667548	OP(=O)(O)OCN1C=CC(=CC1=O)c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2	130000	nM
P27338	CHEMBL3682536	C\C(=N/NC(=O)c1cncc(c1)S(=O)(=O)C)\c2cc(Cl)ccc2O	300000	nM
P27338	CHEMBL3667536	Clc1cccc(Cl)c1C(=O)NCc2ccc(cc2)C3=CC(=O)NC=C3	130000	nM
P27338	CHEMBL3667546	Fc1cc(ccc1CNC(=O)c2c(Cl)cccc2Cl)C3=CC(=O)NC=C3	130000	nM
P27338	CHEMBL3667535	COCCOc1cc(Cl)c(C(=O)NCc2ccc(cc2)C3=CC(=O)NC=C3)c(Cl)c1	130000	nM
P27338	CHEMBL3660747	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4CN(C4)C(=O)C5CC5(F)F	130000	nM
P27338	CHEMBL3660748	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4CN(C4)C(=O)C5CCC5	130000	nM
P27338	CHEMBL3660737	CC(C)CN1CC(C1)C#Cc2ccc3C(=O)C(=COc3c2)c4ccc(CNS(=O)(=O)C)cc4	130000	nM
P27338	CHEMBL3660738	COCCC(=O)N1CC(C1)C#Cc2ccc3C(=O)C(=COc3c2)c4ccc(NS(=O)(=O)C)cc4	130000	nM
P27338	CHEMBL3660739	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4CN(C4)C(=O)C5CC(F)(F)C5	130000	nM
P27338	CHEMBL3660740	CN(C)CCC(=O)N1CC(C1)C#Cc2ccc3C(=O)C(=COc3c2)c4ccc(NS(=O)(=O)C)cc4	130000	nM
P27338	CHEMBL3660741	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4CN(C4)C(=O)CO	130000	nM
P27338	CHEMBL3660730	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4CCN(CC4)C(=O)C5CC5	130000	nM
P27338	CHEMBL3660731	Cc1ncc(C#Cc2ccc3C(=O)C(=COc3c2)c4ccc(NS(=O)(=O)C)cc4)n1C	130000	nM
P27338	CHEMBL3660732	CC(C)n1cncc1C#Cc2ccc3C(=O)C(=COc3c2)c4ccc(NS(=O)(=O)C)cc4	130000	nM
P27338	CHEMBL3660733	Cn1cnc(c1)C#Cc2ccc3C(=O)C(=COc3c2)c4ccc(NS(=O)(=O)C)cc4	130000	nM
P27338	CHEMBL3660734	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4CNC4	94402	nM
P27338	CHEMBL3660735	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4CN(C4)C(=O)OC5CCCC5	130000	nM
P27338	CHEMBL3660736	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4CCOCC4	130000	nM
P27338	CHEMBL3660717	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4(O)CCCCC4	130000	nM
P27338	CHEMBL3660714	CC(C)(O)C#Cc1ccc2C(=O)C(=COc2c1)c3ccc(NS(=O)(=O)C)cc3	91000	nM
P27338	CHEMBL3660716	COCC#Cc1ccc2C(=O)C(=COc2c1)c3ccc(NS(=O)(=O)C)cc3	130000	nM
P27338	CHEMBL3660743	CC(C)(O)C(=O)N1CC(C1)C#Cc2ccc3C(=O)C(=COc3c2)c4ccc(NS(=O)(=O)C)cc4	130000	nM
P27338	CHEMBL3660744	CC1(COC1)C(=O)N2CC(C2)C#Cc3ccc4C(=O)C(=COc4c3)c5ccc(NS(=O)(=O)C)cc5	130000	nM
P27338	CHEMBL3660746	CN1CCC(CC1)C(=O)N2CC(C2)C#Cc3ccc4C(=O)C(=COc4c3)c5ccc(NS(=O)(=O)C)cc5	130000	nM
P27338	CHEMBL3660718	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4(N)CCCCC4	130000	nM
P27338	CHEMBL3660719	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#Cc4ccccn4	130000	nM
P27338	CHEMBL3660720	CS(=O)(=O)NCc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4(O)CCCC4	130000	nM
P27338	CHEMBL3660721	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#Cc4cncnc4	114002	nM
P27338	CHEMBL3660722	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#Cc4cccnc4	130000	nM
P27338	CHEMBL3660723	COCC#Cc1ccc2C(=O)C(=COc2c1)c3ccc(NS(=O)(=O)C4CC4)cc3	130000	nM
P27338	CHEMBL3660749	CC1(CC1)C(=O)N2CC(C2)C#Cc3ccc4C(=O)C(=COc4c3)c5ccc(NS(=O)(=O)C)cc5	130000	nM
P27338	CHEMBL3660742	CC1(O)CC(C1)C(=O)N2CC(C2)C#Cc3ccc4C(=O)C(=COc4c3)c5ccc(NS(=O)(=O)C)cc5	130000	nM
P27338	CHEMBL3660724	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4(O)CCCC4	130000	nM
P27338	CHEMBL3660725	CC(C)(C)OC(=O)N1CCC(CC1)C#Cc2ccc3C(=O)C(=COc3c2)c4ccc(NS(=O)(=O)C)cc4	130000	nM
P27338	CHEMBL3660726	CC(C)(C)OC(=O)N1CC(C1)C#Cc2ccc3C(=O)C(=COc3c2)c4ccc(NS(=O)(=O)C)cc4	130000	nM
P27338	CHEMBL3660727	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4=CC(=O)NC=C4	130000	nM
P27338	CHEMBL3660728	CS(=O)(=O)Nc1ccc(cc1)C2=COc3cc(ccc3C2=O)C#CC4CN(C4)C(=O)C5CC5	130000	nM
P27338	CHEMBL3660750	CC(C)(C)OC(=O)NC1(CCC1)C(=O)N2CC(C2)C#Cc3ccc4C(=O)C(=COc4c3)c5ccc(NS(=O)(=O)C)cc5	130000	nM
P27338	CHEMBL3660751	CC(C)(C)OC(=O)NC1(CC1)C(=O)N2CC(C2)C#Cc3ccc4C(=O)C(=COc4c3)c5ccc(NS(=O)(=O)C)cc5	130000	nM
P27338	CHEMBL3660752	CN(C(=O)OC(C)(C)C)C1(CC1)C(=O)N2CC(C2)C#Cc3ccc4C(=O)C(=COc4c3)c5ccc(NS(=O)(=O)C)cc5	130000	nM
P27338	CHEMBL3667537	Fc1cccc(C(=O)NCc2ccc(cc2)C3=CC(=O)NC=C3)c1Cl	130000	nM
P27338	CHEMBL3667538	Cc1cccc(Cl)c1C(=O)NCc2ccc(cc2)C3=CC(=O)NC=C3	130000	nM
P27338	CHEMBL3667539	Cc1cccc(C)c1C(=O)NCc2ccc(cc2)C3=CC(=O)NC=C3	130000	nM
P27338	CHEMBL3667540	CC1=CC(=CC(=O)N1)c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2	130000	nM
P27338	CHEMBL3667541	Fc1ccc(F)c(C(=O)NCc2ccc(cc2)C3=CC(=O)NC=C3)c1Cl	130000	nM
P27338	CHEMBL3667542	Cc1cc(CNC(=O)c2c(Cl)cccc2Cl)ccc1C3=CC(=O)NC=C3	130000	nM
P27338	CHEMBL3769733	CC(=O)N1N=C(OC1c2ccc(Cl)c(Cl)c2)c3ccncc3	69360	nM
P27338	CHEMBL3780674	Cl.N[C@@H]1C[C@H]1c2ccc(NC(=O)c3cccc(NC(=O)OCc4ccccc4)c3)cc2	100000	nM
P27338	CHEMBL3781125	Cl.Cl.CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3ccc(cc3)[C@@H]4C[C@H]4N	80500	nM
P27338	CHEMBL3781125	Cl.Cl.CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3ccc(cc3)[C@@H]4C[C@H]4N	84600	nM
P27338	CHEMBL3780374	Cl.N[C@@H]1C[C@H]1c2ccc(NC(=O)c3cccc(c3)N4CCOC4=O)cc2	80200	nM
P27338	CHEMBL3781494	Cl.CN1CCC(CC1)c2ccc(cc2)C(=O)Nc3ccc(cc3)[C@@H]4C[C@H]4N	100000	nM
P27338	CHEMBL3780542	Cl.N[C@@H]1C[C@H]1c2ccc(NC(=O)c3ccc(N4CCOCC4)c(NC(=O)OCc5ccccc5)c3)cc2	62900	nM
P27338	CHEMBL3781560	Cl.Cl.CN1CCN(CC1)c2ccc(cc2NC(=O)OCc3ccccc3)C(=O)Nc4ccc(cc4)[C@@H]5C[C@H]5N	100000	nM
P27338	CHEMBL3781751	N[C@@H]1CC[C@H](CC1)N[C@@H]2C[C@H]2c3ccccc3	100000	nM
P27338	CHEMBL3736127	CN1CCN(CC1)C(=O)CNC2CC2c3cccc(OCC[C@H](NC(=O)c4ccccc4)C(=O)NCc5ccccc5)c3	100000	nM
P27338	CHEMBL3787230	C(N[C@@H]1C[C@H]1c2ccccc2)C3CCNCC3	79000	nM
P27338	CHEMBL3785355	Clc1cccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c3ccccc3)NC(=O)c4ccc(cc4)c5ccccc5)c1	100000	nM
P27338	CHEMBL3735553	Cl.N[C@@H]1C[C@H]1c2ccc(NC(=O)c3cccn3C(=O)OCc4ccccc4)cc2	75800	nM
P27338	CHEMBL3734779	Cl.N[C@@H]1C[C@H]1c2ccc(NC(=O)c3cc4ccccc4n3C(=O)OCc5ccccc5)cc2	60000	nM
P27338	CHEMBL3735901	Cl.N[C@@H]1C[C@H]1c2ccc(NC(=O)c3cn(C(=O)OCc4ccccc4)c5ccccc35)cc2	70000	nM
P27338	CHEMBL3799361	On1c(cc2cc(C#N)c(cc12)C#N)c3cccs3	100000	nM
P27338	CHEMBL3797374	COn1c(c(C=O)c2cc(C#N)c(cc12)C#N)c3ccccc3	100000	nM
P27338	CHEMBL3799754	COn1c(c(C=O)c2cc(C#N)c(cc12)C#N)c3ccc(C)cc3	74800	nM
P27338	CHEMBL3799747	COc1ccc(cc1)c2c(C=O)c3cc(C#N)c(cc3n2OC)C#N	100000	nM
P27338	CHEMBL3800179	COn1c(c(CO)c2cc(C#N)c(cc12)C#N)c3ccccc3	100000	nM
P27338	CHEMBL3800329	COn1c(c(CO)c2cc(C#N)c(cc12)C#N)c3ccc(C)cc3	100000	nM
P27338	CHEMBL3797506	COc1ccc(cc1)c2c(CO)c3cc(C#N)c(cc3n2OC)C#N	100000	nM
P27338	CHEMBL3797294	COn1c(c(Br)c2cc(C#N)c(cc12)C#N)c3ccccc3	100000	nM
P27338	CHEMBL3797476	OC(=O)c1cc2cc(c3ccccc3)n(O)c2cc1C(=O)O	56200	nM
P27338	CHEMBL3799394	Cc1ccc(cc1)c2cc3cc(C(=O)O)c(cc3n2O)C(=O)O	100000	nM
P27338	CHEMBL3800487	COc1ccc(cc1)c2cc3cc(C(=O)O)c(cc3n2O)C(=O)O	100000	nM
P27338	CHEMBL3797638	OC(=O)c1cc2cc(c3cccs3)n(O)c2cc1C(=O)O	100000	nM
P27338	CHEMBL3797703	COC(=O)c1cc2cc(c3ccc(OC)cc3)n(OC)c2cc1C(=O)OC	100000	nM
P27338	CHEMBL3798815	On1c(cc2cc3C(=O)NC(=O)c3cc12)c4ccccc4	83100	nM
P27338	CHEMBL3798000	On1c(cc2cc3C(=O)NC(=O)c3cc12)c4cccs4	100000	nM
P27338	CHEMBL3797384	COn1c(cc2cc3C(=O)N(C)C(=O)c3cc12)c4ccccc4	100000	nM
P27338	CHEMBL3799006	Clc1c([nH]c2cc3C(=O)NC(=O)c3cc12)c4ccccc4	100000	nM
P27338	CHEMBL3799429	[O-][N+](=O)c1cc2C(=O)NC(=O)c2cc1CC(=O)c3cccs3	100000	nM
P27338	CHEMBL3798483	COc1ccc(cc1)C(=O)Cc2cc3C(=O)N(Cc4ccccc4)C(=O)c3cc2[N+](=O)[O-]	100000	nM
P27338	CHEMBL3797944	[O-][N+](=O)c1cc2C(=O)N(Cc3ccccc3)C(=O)c2cc1CC(=O)c4cccs4	100000	nM
P27338	CHEMBL3798693	OC(=O)c1cc(CC(=O)c2ccccc2)c(cc1C(=O)O)[N+](=O)[O-]	100000	nM
P27338	CHEMBL3799526	Cc1ccc(cc1)C(=O)Cc2cc(C(=O)O)c(cc2[N+](=O)[O-])C(=O)O	100000	nM
P27338	CHEMBL3799080	COc1ccc(cc1)C(=O)Cc2cc(C(=O)O)c(cc2[N+](=O)[O-])C(=O)O	100000	nM
P27338	CHEMBL3798998	OC(=O)c1cc(CC(=O)c2cccs2)c(cc1C(=O)O)[N+](=O)[O-]	100000	nM
P27338	CHEMBL3742038	ONC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2	112130	nM
P27338	CHEMBL3739683	CC(=O)N1CCN(CC1)c2ccc(cc2F)N3C[C@H](CNO)OC3=O.OC(=O)C(F)(F)F	69560	nM
P27338	CHEMBL3742204	CCOC(=O)N(C[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2)C(=O)CC	167980	nM
P27338	CHEMBL3741033	CCC(=O)N(O)C[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2	100020	nM
P27338	CHEMBL3740096	CC(C)OC(=O)N(C[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2)C(=O)C(C)C	108090	nM
P27338	CHEMBL3739655	CC(C)C(=O)N(O)C[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2	107310	nM
P27338	CHEMBL3741428	ON(C[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2)C(=O)C4CC4	90880	nM
P27338	CHEMBL3741610	COC(=O)N(C[C@H]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)C)c(F)c2)C(=O)C	153070	nM
P27338	CHEMBL3741609	CCOC(=O)N(C[C@H]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)C)c(F)c2)C(=O)CC	127150	nM
P27338	CHEMBL3739891	CCC(=O)N(O)C[C@H]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)C)c(F)c2	83060	nM
P27338	CHEMBL3741844	CC(=O)N1CCN(CC1)c2ccc(cc2F)N3C[C@H](CN(C(=O)OC4CC4)C(=O)C5CC5)OC3=O	110650	nM
P27338	CHEMBL3741078	Oc1ccc2C(=O)CCOc2c1	78860	nM
P10828	CHEMBL391785	CCCCCCc1ccc(NC(=O)CCC(=O)O)cc1	100000	nM
P10828	CHEMBL235276	CCCCCCc1ccc(NC(=O)\C=C\c2ccccc2)cc1	100000	nM
P10828	CHEMBL237821	CCCCCCc1ccc(cc1)C(=O)CC	100000	nM
P10828	CHEMBL237455	CCCCCc1ccc(OC(=O)C=C)cc1	55800	nM
P10828	CHEMBL237823	CCCCc1ccc(cc1)C(=O)C=C	66000	nM
P10828	CHEMBL394913	CCCC(=O)Nc1cccc2CCCCc12	69800	nM
P10828	CHEMBL394061	CCCCCCc1ccc(NC(=O)C=C(C)C)cc1	100000	nM
P10828	CHEMBL394679	CCCc1ccc(OC(=O)C=C)cc1	61000	nM
P10828	CHEMBL398107	CCCCCCc1ccc(NC(=O)\C=C\C)cc1	100000	nM
P10828	CHEMBL236341	CCCCCCc1ccc(cc1)C(=O)CF	100000	nM
P10828	CHEMBL396437	CCCCCCCc1ccc(cc1)C(=O)C=C(C)C	100000	nM
P10828	CHEMBL237822	CCCc1ccc(cc1)C(=O)C=C	100000	nM
P10828	CHEMBL394678	CC(C)(C)C[C@@H]1CC[C@H](CC1)C(=O)C=C	69100	nM
P10828	CHEMBL235489	CCCCCCc1ccc(NC(=O)CC(=C)C(=O)O)cc1	100000	nM
P10828	CHEMBL237820	CCCCCCCc1ccc(cc1)C(=O)\C(=C\C)\C	100000	nM
P10828	CHEMBL449354	CCCCCCCc1ccc(cc1)C(=O)\C=C\c2ccccc2	100000	nM
P10828	CHEMBL395872	CCCC(=O)Nc1ccc(cc1)C(=O)C=C	85900	nM
P10828	CHEMBL236307	CCCCCCc1ccc(cc1)C(=O)CCCBr	100000	nM
P10828	CHEMBL2349033	CN(CC(=O)N1CCN(CC1)c2ccccc2F)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349036	CN(CC(=O)N1CCCCC1)C(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349038	CN(CC(=O)N1CCc2ccccc12)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349028	CN(CC(=O)N(C)Cc1cccc(F)c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348873	CN(Cc1cccc(F)c1)C(=O)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348925	CN(CC(=O)N1CCc2ccccc2C1)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349042	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCc4ccccc4C3	60000	nM
P10828	CHEMBL2348926	CCCN(C(=O)CN(C)C(=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C)c2ccccc2	60000	nM
P10828	CHEMBL2349047	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N(Cc3ccccc3)Cc4ccccc4	60000	nM
P10828	CHEMBL2349037	CC1CCN(CC1)C(=O)CN(C)C(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348881	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCC(=O)N2CCCCC2	60000	nM
P10828	CHEMBL2348883	CN1CCN(CC1)C(=O)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348907	CN(C(=O)CCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C)c2ccccc2	60000	nM
P10828	CHEMBL2346688	CN1CCN(CC1)C(=O)C2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349044	CN(Cc1ccccc1)C(=O)C2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348879	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCC(=O)N2CCN(CC2)c3ccc(F)cc3	60000	nM
P10828	CHEMBL2348896	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N2CCN(CC2)c3ccccc3F	60000	nM
P10828	CHEMBL2348916	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCC(=O)N2CCN(CC2)c3ccccc3F	60000	nM
P10828	CHEMBL2348885	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N2CCc3ccccc3C2	60000	nM
P10828	CHEMBL2348900	CC1CCN(CC1)C(=O)CCNC(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348901	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N2CCc3ccccc23	60000	nM
P10828	CHEMBL2348902	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N2Cc3ccccc3C2	60000	nM
P10828	CHEMBL2349032	CN(CC(=O)N1CCN(CC1)c2ccc(C)cc2)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348923	CC1Cc2ccccc2N1C(=O)CCCNC(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348924	CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)c4ccc(c(c4)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349041	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)NC34CC5CC(CC(C5)C3)C4	60000	nM
P10828	CHEMBL2348889	CN(Cc1ccccc1F)C(=O)CCNC(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348891	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N(Cc2ccccc2)Cc3ccccc3	60000	nM
P10828	CHEMBL2348877	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCC(=O)N2CCN(CC2)c3ccccc3	60000	nM
P10828	CHEMBL2348927	CN(CC(=O)N(C)Cc1ccccc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348913	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCC(=O)N2CCC(CC2)c3ccccc3	60000	nM
P10828	CHEMBL2349051	Cc1ccc(cc1)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)c4ccc(c(c4)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348880	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCC(=O)N2CCN(CC2)c3ccc(cc3)C(F)(F)F	60000	nM
P10828	CHEMBL2349034	CN(CC(=O)N1CCN(CC1)c2ccc(F)cc2)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349030	CN(CC(=O)N1CCC(CC1)c2ccccc2)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349053	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)c4ccc(F)cc4	60000	nM
P10828	CHEMBL2349054	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCCCC3	60000	nM
P10828	CHEMBL2348922	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCC(=O)N2Cc3ccccc3C2	60000	nM
P10828	CHEMBL2349055	CC1CCN(CC1)C(=O)C2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349045	CN(Cc1ccccc1F)C(=O)C2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348890	CN(Cc1cccc(F)c1)C(=O)CCNC(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348909	CN(Cc1ccccc1)C(=O)CCCNC(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348911	CN(Cc1cccc(F)c1)C(=O)CCCNC(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348894	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N2CCN(CC2)c3ccccc3	60000	nM
P10828	CHEMBL2348918	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCC(=O)N2CCN(CC2)c3ccc(cc3)C(F)(F)F	60000	nM
P10828	CHEMBL2348886	CN(C(=O)CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C)c2ccccc2	60000	nM
P10828	CHEMBL2349039	CN(CC(=O)N1Cc2ccccc2C1)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348904	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N2CCCc3ccccc23	60000	nM
P10828	CHEMBL2348906	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCC(=O)N2CCc3ccccc3C2	60000	nM
P10828	CHEMBL2349031	CN(CC(=O)N1CCN(CC1)c2ccccc2)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348921	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCC(=O)N2CCc3ccccc23	60000	nM
P10828	CHEMBL2349043	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N(Cc3ccccc3)c4ccccc4	60000	nM
P10828	CHEMBL2348912	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCC(=O)N(Cc2ccccc2)Cc3ccccc3	59000	nM
P10828	CHEMBL2348878	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCC(=O)N2CCN(CC2)c3ccccc3F	60000	nM
P10828	CHEMBL2348897	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N2CCN(CC2)c3ccc(F)cc3	60000	nM
P10828	CHEMBL2349035	CN(CC(=O)N1CCN(CC1)c2ccc(cc2)C(F)(F)F)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348903	CC1Cc2ccccc2N1C(=O)CCNC(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349029	CN(CC(=O)N(Cc1ccccc1)Cc2ccccc2)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349058	CC1Cc2ccccc2N1C(=O)C3CCN(CC3)C(=O)c4ccc(c(c4)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349046	CN(Cc1cccc(F)c1)C(=O)C2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348899	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N2CCCCC2	60000	nM
P10828	CHEMBL2348914	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCC(=O)N2CCN(CC2)c3ccccc3	60000	nM
P10828	CHEMBL2348915	Cc1ccc(cc1)N2CCN(CC2)C(=O)CCCNC(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348917	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCC(=O)N2CCN(CC2)c3ccc(F)cc3	60000	nM
P10828	CHEMBL2348919	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCCC(=O)N2CCCCC2	60000	nM
P10828	CHEMBL2348920	CC1CCN(CC1)C(=O)CCCNC(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348888	CN(Cc1ccccc1)C(=O)CCNC(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348875	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCC(=O)N2CCC(CC2)c3ccccc3	60000	nM
P10828	CHEMBL2348876	CC(C)N(C(C)C)C(=O)CNC(=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349057	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3Cc4ccccc4C3	60000	nM
P10828	CHEMBL2349048	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCC(CC3)c4ccccc4	60000	nM
P10828	CHEMBL2349049	CC(C)N(C(C)C)C(=O)C1CCN(CC1)C(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348898	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N2CCN(CC2)c3ccc(cc3)C(F)(F)F	60000	nM
P10828	CHEMBL2349050	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)c4ccccc4	60000	nM
P10828	CHEMBL2349027	CN(CC(=O)N(C)Cc1ccccc1F)C(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2349052	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)c4ccccc4F	60000	nM
P10828	CHEMBL2349056	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCc4ccccc34	60000	nM
P10828	CHEMBL2349040	CC1Cc2ccccc2N1C(=O)CN(C)C(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348892	CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)NCCC(=O)N2CCC(CC2)c3ccccc3	60000	nM
P10828	CHEMBL2348908	CCCN(C(=O)CCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C)c2ccccc2	60000	nM
P10828	CHEMBL2348893	CC(C)N(C(C)C)C(=O)CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348910	CN(Cc1ccccc1F)C(=O)CCCNC(=O)c2ccc(c(c2)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL2348895	Cc1ccc(cc1)N2CCN(CC2)C(=O)CCNC(=O)c3ccc(c(c3)[N+](=O)[O-])S(=O)(=O)C	60000	nM
P10828	CHEMBL3264936	CCN1C(=NN(Cc2ccc(cc2)C(C)(C)C)C1=O)CCCc3ccc(cc3)c4ccc(NS(=O)(=O)c5ccc(cc5)c6ccc(OC)cc6)cc4	69000	nM
P10828	CHEMBL3264932	CCN1C(=NN(Cc2ccc(cc2)C(C)(C)C)C1=O)CCCc3ccc(cc3)c4ccc(NS(=O)(=O)c5ccccc5)cn4	100000	nM
P10275	CHEMBL1721724	Cc1cccc(OCCSc2nc3ccccc3n2CCC(=O)O)c1	200000	nM
P10275	CHEMBL1702133	OC(=O)CCn1c(SCCOc2ccccc2)nc3ccccc13	200000	nM
P10275	CHEMBL1409155	Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)O)c1	200000	nM
P10275	CHEMBL1504501	OCCn1c(SCCOc2ccccc2)nc3ccccc13	200000	nM
P10275	CHEMBL378274	Oc1nnc(Cc2ccccc2Cl)c3ccccc13	85400	nM
P10275	CHEMBL1082407	CNC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C2(C)C)c3ccc(C#N)c(c3)C(F)(F)F	100000	nM
P10275	CHEMBL131921	COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O	1600000	nM
P10275	CHEMBL44	Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O	1300000	nM
P10275	CHEMBL25894	COc1cc(CCC(=O)C)ccc1O	151356.12	nM
P10275	CHEMBL25894	COc1cc(CCC(=O)C)ccc1O	153000	nM
P10275	CHEMBL1312729	Cc1ccc(OCCSc2nc3ccccc3n2CCC(=O)O)cc1	200000	nM
P10275	CHEMBL105912	CC(=O)CCc1ccc(O)cc1	251188.64	nM
P10275	CHEMBL105912	CC(=O)CCc1ccc(O)cc1	252000	nM
P10275	CHEMBL806	CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]	110000	nM
P10275	CHEMBL1535354	O=S(=O)(CCOc1ccccc1)c2nc3ccccc3[nH]2	200000	nM
P10275	CHEMBL1474103	Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N4CCOCC4)c1	200000	nM
P10275	CHEMBL409	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F	100000	nM
P10275	CHEMBL1330717	C(CSc1oc2ccccc2n1)Oc3ccccc3	200000	nM
P10275	CHEMBL1090553	CC(=O)Cc1ccc(O)cc1	420000	nM
P10275	CHEMBL1090553	CC(=O)Cc1ccc(O)cc1	416869.38	nM
P10275	CHEMBL1445673	Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1C	200000	nM
P10275	CHEMBL1539990	Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1	163800	nM
P10275	CHEMBL2316555	C=CCn1c(SCCOc2ccccc2)nc3ccccc13	200000	nM
P10275	CHEMBL2316558	[O-][S+](CCOc1ccccc1)c2nc3ccccc3[nH]2	200000	nM
P10275	CHEMBL2316536	C(CSc1nc2ccccc2[nH]1)Nc3ccccc3	200000	nM
P10275	CHEMBL2316545	NS(=O)(=O)c1ccc(OCCSc2nc3ccccc3[nH]2)cc1	62000	nM
P10275	CHEMBL2316548	CCN(CC)C(=O)Cn1c(SCCOc2cccc(C)c2)nc3ccccc13	200000	nM
P10275	CHEMBL2316557	C(COc1ccccc1)Cc2nc3ccccc3[nH]2	200000	nM
P10275	CHEMBL2316551	CC(C)(C)c1cccc(OCCSc2nc3ccccc3n2CC(=O)O)c1	200000	nM
P10275	CHEMBL2316537	C(COc1ccccc1)CSc2nc3ccccc3[nH]2	200000	nM
P10275	CHEMBL2316573	CCOC(=O)Cn1c(SCCOc2cc(C)cc(C)c2)nc3ccccc13	200000	nM
P10275	CHEMBL2316571	CCc1cccc(OCCSc2nc3ccccc3n2CC(=O)OC)c1	200000	nM
P10275	CHEMBL2316549	Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(=O)O)c1	200000	nM
P10275	CHEMBL2316574	CCc1cccc(OCCSc2nc3ccccc3n2CC(=O)O)c1	200000	nM
P10275	CHEMBL2316553	CCc1cccc(OCCSc2nc3ccccc3n2CCC(=O)O)c1	200000	nM
P10275	CHEMBL2316572	COC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc3ccccc13	200000	nM
P10275	CHEMBL2316550	Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(=O)O)c1	200000	nM
P10275	CHEMBL2316552	COC(=O)Cn1c(SCCOc2cccc(CC=C)c2)nc3ccccc13	200000	nM
P10275	CHEMBL2316570	CCOC(=O)Cn1c(SCCOc2cccc(CC)c2)nc3ccccc13	55000	nM
P10275	CHEMBL2316556	C(COc1ccccc1)Nc2nc3ccccc3[nH]2	200000	nM
P10275	CHEMBL2316575	Cc1cccc(OCCSc2nc3ccccc3n2CCOc4ccccc4)c1	200000	nM
P10275	CHEMBL3343778	CC(C)c1ccc2c(c1)C(=O)C[C@H]3[C@](C)(CNC(=O)c4ccccc4)CCC[C@]23C	83800	nM
P10275	CHEMBL3622578	[O-][N+](=O)c1ccccc1CC2=NNC(=O)c3ccccc23	100000	nM
P10275	CHEMBL3622590	Clc1ccc(Cl)c(CC2=NNC(=O)c3ccccc23)c1Cl	56700	nM
P10275	CHEMBL3622587	Cc1cccc(C)c1CC2=NNC(=O)c3ccccc23	84300	nM
P35462	CHEMBL672	CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2	137533	nM
P35462	CHEMBL3335536	C(Cc1ccccc1)[C@H]2CN(Cc3nc4ccccc4[nH]3)CCO2	76400	nM
P04150	CHEMBL247772	N=C1N(CCOc2ccccc2)c3ccccc3N1CCN4CCCCC4	100000	nM
P03372	CHEMBL522341	C(Sc1cc(SCc2ccccc2)nc(SCc3ccccc3)n1)c4ccccc4	1000000	nM
P03372	CHEMBL495325	CC(C)CNc1nc(\C=C\c2ccccc2)cc(n1)N(C)CC(C)C	1000000	nM
P03372	CHEMBL493501	CC(C)CNc1nc(\C=C\c2ccccc2)cc(n1)N(Cc3ccccc3)C(=O)OC(C)(C)C	1000000	nM
P03372	CHEMBL493700	CC(C)COc1cc(OCC(C)C)nc(OCC(C)C)n1	1000000	nM
P03372	CHEMBL523687	C(Cc1cc(OCc2ccccc2)nc(OCc3ccccc3)n1)c4ccccc4	1000000	nM
P03372	CHEMBL496881	CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c2ccccc2)c3ccc(cc3F)c4ccc(O)cc4	100000	nM
P03372	CHEMBL502155	C(Cc1cccc2ccccc12)c3cc(NCc4cccc5ccccc45)nc(NCc6cccc7ccccc67)n3	1000000	nM
P03372	CHEMBL492494	CC(C)CNc1nc(CCc2cccc3ccccc23)cc(n1)N(CC(C)C)C(=O)OC(C)(C)C	1000000	nM
P03372	CHEMBL203330	Oc1cc(O)c2C(=O)N(C=Nc2c1)c3ccc(O)c(Cl)c3	55015	nM
P03372	CHEMBL206648	Oc1ccc(nc1)N2C=Nc3cc(O)cc(O)c3C2=O	97982	nM
P03372	CHEMBL205137	COC(=O)c1cc(O)cc2N=CN(C(=O)c12)c3ccc(O)cc3	81324	nM
P03372	CHEMBL425941	Oc1ccc(cc1)N2C=Nc3cc(O)cc(c4ccccc4)c3C2=O	101544	nM
P03372	CHEMBL8145	Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O	1000000	nM
P03372	CHEMBL8145	Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O	1000000	nM
P03372	CHEMBL424829	COc1cc(ccc1O)C2=CC(=O)c3cc(O)ccc3O2	1000000	nM
P03372	CHEMBL424829	COc1cc(ccc1O)C2=CC(=O)c3cc(O)ccc3O2	1000000	nM
P03372	CHEMBL202996	Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=S	55883	nM
P03372	CHEMBL195560	Oc1ccc(cc1)C2=COc3cc(O)ccc3C2	1000000	nM
P03372	CHEMBL195560	Oc1ccc(cc1)C2=COc3cc(O)ccc3C2	1000000	nM
P03372	CHEMBL448274	CC(C)(C)OC(=O)N(Cc1cccc2ccccc12)c3cc(CCc4ccccc4)nc(NCc5cccc6ccccc56)n3	1000000	nM
P03372	CHEMBL495136	C(Cc1cc(NCc2cccc3ccccc23)nc(NCc4ccccc4)n1)c5ccccc5	1000000	nM
P03372	CHEMBL495137	CC(C)CNc1cc(CCc2ccccc2)nc(NCc3cccc4ccccc34)n1	1000000	nM
P03372	CHEMBL427166	O=C1N=C2N(Cc3ccccc23)c4cc5ccccc5cc14	1000000	nM
P03372	CHEMBL427166	O=C1N=C2N(Cc3ccccc23)c4cc5ccccc5cc14	1000000	nM
P03372	CHEMBL492453	CC(C)CCc1nc(NCC(C)C)cc(NCc2cccc3ccccc23)n1	1000000	nM
P03372	CHEMBL523837	C(Nc1nc(\C=C\c2ccccc2)cc(\C=C\c3ccccc3)n1)c4ccccc4	1000000	nM
P03372	CHEMBL523380	CC(C)COc1cc(\C=C\c2ccccc2)nc(OCC(C)C)n1	1000000	nM
P03372	CHEMBL494716	C(Oc1cc(\C=C\c2ccccc2)nc(OCc3ccccc3)n1)c4ccccc4	1000000	nM
P03372	CHEMBL522032	CC(C)COc1cc(CCc2ccccc2)nc(OCC(C)C)n1	1000000	nM
P03372	CHEMBL195612	Oc1ccc2C(=O)C(=C(Oc2c1)C(F)(F)F)c3oc4ccccc4c3	1000000	nM
P03372	CHEMBL195612	Oc1ccc2C(=O)C(=C(Oc2c1)C(F)(F)F)c3oc4ccccc4c3	1000000	nM
P03372	CHEMBL501952	Cc1nc2cc(C(=O)NN)c(cc2[nH]1)[N+](=O)[O-]	100000	nM
P03372	CHEMBL492454	CC(C)CCc1cc(CCC(C)C)nc(NCc2ccccc2)n1	1000000	nM
P03372	CHEMBL158017	C(Cc1cc(NCc2ccccc2)nc(NCc3ccccc3)n1)c4ccccc4	1000000	nM
P03372	CHEMBL482644	CCOC(=O)c1cc2nc(C)[nH]c2cc1[N+](=O)[O-]	100000	nM
P03372	CHEMBL206773	Oc1ccc(cc1)N2C(=O)Nc3cc(O)cc(O)c3C2=O	70277	nM
P03372	CHEMBL523514	CC(C)CNc1nc(\C=C\c2ccccc2)cc(\C=C\c3ccccc3)n1	1000000	nM
P03372	CHEMBL492874	CC(C)CNc1cc(CCc2cccc3ccccc23)nc(n1)N(C)CC(C)C	1000000	nM
P03372	CHEMBL443831	COc1ccccc1OC2=COc3cc(O)ccc3C2=O	1000000	nM
P03372	CHEMBL443831	COc1ccccc1OC2=COc3cc(O)ccc3C2=O	1000000	nM
P03372	CHEMBL370039	Oc1ccc(C(=O)Cc2oc3ccccc3c2)c(O)c1	85700	nM
P03372	CHEMBL370039	Oc1ccc(C(=O)Cc2oc3ccccc3c2)c(O)c1	85700	nM
P03372	CHEMBL370039	Oc1ccc(C(=O)Cc2oc3ccccc3c2)c(O)c1	85700	nM
P03372	CHEMBL33899	CC\C(=C(/c1ccccc1)\c2ccc(\C=C\C(=O)O)cc2)\c3ccccc3	100000	nM
P03372	CHEMBL494911	CC(C)CNc1nc(CCc2ccccc2)cc(CCc3ccccc3)n1	1000000	nM
P03372	CHEMBL494912	C(Oc1cc(OCc2ccccc2)nc(OCc3ccccc3)n1)c4ccccc4	1000000	nM
P03372	CHEMBL499809	CC(C)CSc1cc(SCC(C)C)nc(SCC(C)C)n1	1000000	nM
P03372	CHEMBL494319	C(Cc1cc(NCc2cccc3ccccc23)nc(NCc4cccc5ccccc45)n1)c6ccccc6	1000000	nM
P03372	CHEMBL203370	Oc1ccc(cc1)N2C=Nc3cc(O)ccc3C2=O	53640	nM
P03372	CHEMBL378572	Oc1cc(O)c2C(=O)N(C=Nc2c1)c3ccccc3	75588	nM
P03372	CHEMBL524173	CC(C)CNc1cc(\C=C\c2ccccc2)nc(NCc3cccc4ccccc34)n1	1000000	nM
P03372	CHEMBL1084746	CC(=CCc1c(O)c(O)ccc1[C@H]2CCc3ccc(O)cc3O2)C	57200	nM
P03372	CHEMBL1083326	CC(=CCc1c(O)c(O)cc([C@H]2CCc3ccc(O)cc3O2)c1CC=C(C)C)C	151100	nM
P03372	CHEMBL191905	COc1cccc(COc2ccc3C4=C(CCC4)C(=O)Oc3c2)c1	1000000	nM
P03372	CHEMBL191905	COc1cccc(COc2ccc3C4=C(CCC4)C(=O)Oc3c2)c1	1000000	nM
P03372	CHEMBL9352	Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2	75302	nM
P03372	CHEMBL482642	Cc1nc2cc(ccc2[nH]1)C(=O)O	100000	nM
P03372	CHEMBL523707	CC(C)CCc1cc(NCc2ccccc2)nc(NCc3cccc4ccccc34)n1	1000000	nM
P03372	CHEMBL206426	Oc1cc(O)c2C(=O)N(C=Nc2c1)c3ccc(O)nc3	66860	nM
P03372	CHEMBL494705	C(Cc1cc(CCc2ccccc2)nc(NCc3cccc4ccccc34)n1)c5ccccc5	1000000	nM
P03372	CHEMBL192877	Oc1ccc(CCC(=O)c2ccc(O)cc2O)cc1	1000000	nM
P03372	CHEMBL192877	Oc1ccc(CCC(=O)c2ccc(O)cc2O)cc1	1000000	nM
P03372	CHEMBL523041	CC(C)CCc1cc(NCc2cccc3ccccc23)nc(NCc4ccccc4)n1	1000000	nM
P03372	CHEMBL203122	CC(C)C1=Nc2cc(O)cc(O)c2C(=O)N1c3ccc(O)cc3	70399	nM
P03372	CHEMBL522206	C(Nc1cc(\C=C\c2ccccc2)nc(NCc3ccccc3)n1)c4ccccc4	1000000	nM
P03372	CHEMBL494320	CC(C)CCc1cc(NCc2cccc3ccccc23)nc(NCc4cccc5ccccc45)n1	1000000	nM
P03372	CHEMBL494321	CC(C)CCc1cc(OCc2ccccc2)nc(OCc3ccccc3)n1	1000000	nM
P03372	CHEMBL2041096	C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CC/C/2=C\c5ccccn5	100000	nM
P03372	CHEMBL2041093	C[C@]12CC[C@H]3[C@@H](C=CC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC/C/2=C\c5ccccn5	100000	nM
P03372	CHEMBL2441817	COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)OC(=O)C	64908.26	nM
P03372	CHEMBL2441807	Cc1nc2cc(C(=O)O)c(cc2[nH]1)[N+](=O)[O-]	100000	nM
P03372	CHEMBL2441815	CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC/C/4=C\c5ccccn5)[C@@H]3CC(=C2C1)[N+](=O)[O-]	100000	nM
P03372	CHEMBL2441809	Cc1nc2cc(ccc2[nH]1)c3oc(SCC#N)nn3	100000	nM
P03372	CHEMBL2441813	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC/C/2=C\c5ccccn5	100000	nM
P03372	CHEMBL2441810	Cc1nc2cc(C3=NNC(=S)O3)c(cc2[nH]1)[N+](=O)[O-]	100000	nM
P03372	CHEMBL2441814	C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CC/C/2=C\c5ccccn5	100000	nM
P03372	CHEMBL2441818	COc1cc2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@@H]34)OC(=O)C)c2cc1C=O	64908.26	nM
P03372	CHEMBL2441819	COc1cc(ccc1O)C(=O)CCc2cc3[C@H]4CC[C@]5(C)[C@@H](O)CC[C@H]5[C@@H]4CCc3cc2OC	64908.26	nM
P03372	CHEMBL2441811	CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC/C/4=C\c5ccccn5)[C@@H]3CC=C2C1	100000	nM
P03372	CHEMBL2441816	CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H](O)/C/4=C\c5ccccn5)[C@@H]3CC=C2C1	100000	nM
P03372	CHEMBL2441812	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC/C/2=C\c5ccccn5	100000	nM
P03372	CHEMBL2441808	Cc1nc2cc(ccc2[nH]1)c3oc(SS(=O)(=O)C)nn3	100000	nM
P03372	CHEMBL444663	Cc1nc2cc(ccc2[nH]1)C(=O)NN	100000	nM
P03372	CHEMBL3098275	CCCCCCCCCCCCCCCCCCNCCOc1ccc(cc1)\C(=C(\CC)/c2ccccc2)\c3ccc(O)cc3	100000	nM
P03372	CHEMBL3427385	OC(=O)\C=C\c1ccc(CC2=C(C(=O)Oc3cc(O)ccc23)c4ccccc4)cc1	100000	nM
P03372	CHEMBL3589354	COc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c4ccc(O)cc4)c5ccc(NC(=O)CCCCCCC(=O)O)cc5)cc1	115600	nM
P03372	CHEMBL3421892	CC1=NOC(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c4cc(F)ccc4Cl)C(F)(F)F)cc12	100000	nM
P03372	CHEMBL3827018	COc1ccc2C3=C(N(C(=O)c2c1)c4ccc(OCCN5CCOCC5)cc4)c6ccc(OC)cc6C3=O	100000	nM
P03372	CHEMBL3827876	COc1ccc2C3=C(N(C(=O)c2c1)c4ccc(OCCCN5CCOCC5)cc4)c6ccc(OC)cc6C3=O	100000	nM
P29274	CHEMBL2381765	Cn1cnc2c(N)nc(NCCc3ccc(O)cc3)nc12	100000	nM
P29274	CHEMBL2381765	Cn1cnc2c(N)nc(NCCc3ccc(O)cc3)nc12	100000	nM
P29274	CHEMBL2381764	Cn1c(nc2c(N)nc(NCCc3ccc(O)cc3)nc12)n4ccnn4	54954.09	nM
P29274	CHEMBL2381772	CCOC(=O)CCCNc1nc(NCCc2ccc(OCCCC(=O)OCC)cc2)nc3nc(nn13)c4occc4	100000	nM
P29274	CHEMBL2381772	CCOC(=O)CCCNc1nc(NCCc2ccc(OCCCC(=O)OCC)cc2)nc3nc(nn13)c4occc4	100000	nM
P29274	CHEMBL2381769	CCN1C(=O)N(CC)c2nc(\C=C\c3ccc(OCCCC(=O)NCCCCCCCCCCCC(=O)OC)c(OC)c3)n(C)c2C1=O	100000	nM
P29274	CHEMBL2381769	CCN1C(=O)N(CC)c2nc(\C=C\c3ccc(OCCCC(=O)NCCCCCCCCCCCC(=O)OC)c(OC)c3)n(C)c2C1=O	100000	nM
P29274	CHEMBL3394254	CCCN(CCCNC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)CCc1cccc2NC(=O)Cc12	100000	nM
P29274	CHEMBL3394254	CCCN(CCCNC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)CCc1cccc2NC(=O)Cc12	100000	nM
P06401	CHEMBL83	CC\C(=C(/c1ccccc1)\c2ccc(OCCN(C)C)cc2)\c3ccccc3	100000	nM
P06401	CHEMBL1358	C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O	100000	nM
P06401	CHEMBL33899	CC\C(=C(/c1ccccc1)\c2ccc(\C=C\C(=O)O)cc2)\c3ccccc3	100000	nM
P06401	CHEMBL479738	CN1C(=O)N(C(=O)c2ccccc12)c3ccccc3	84000	nM
P06401	CHEMBL489	CC\C(=C(/c1ccc(O)cc1)\c2ccc(OCCN(C)C)cc2)\c3ccccc3	100000	nM
P06401	CHEMBL1835834	Clc1ccc(s1)c2ccc3OC(=O)C=Cc3c2	50500	nM
P06401	CHEMBL3622992	OCCN1CCc2c([nH]c3ccccc23)C1c4ccc(Cl)cc4	100000	nM
P06401	CHEMBL3622998	C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCO)c4ccc(\C=C\C(=O)O)cc4	100000	nM
P06401	CHEMBL3622994	C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCO)c4ccc(Cl)cc4	100000	nM
P06401	CHEMBL3622995	C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC(=O)O)c4ccc(Cl)cc4	100000	nM
P06401	CHEMBL3622999	C[C@H](CO)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c4ccc(\C=C\C(=O)O)cc4	100000	nM
P06401	CHEMBL3623000	C[C@@H](CO)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c4ccc(\C=C\C(=O)O)cc4	100000	nM
P06401	CHEMBL3623001	CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c4ccc(\C=C\C(=O)O)cc4	100000	nM
Q9PPP5	CHEMBL1098549	CC1=CN([C@H]2C[C@@H]([C@@H](CO)O2)n3cc(nn3)c4ccc(F)cc4)C(=O)NC1=O	71000	nM
Q9PPP5	CHEMBL1098660	CCCc1cn(nn1)[C@H]2C[C@@H](O[C@@H]2CO)N3C=C(C)C(=O)NC3=O	208000	nM
Q9PPP5	CHEMBL1098217	CCCCCc1cn(nn1)[C@H]2C[C@@H](O[C@@H]2CO)N3C=C(C)C(=O)NC3=O	189000	nM
Q9PPP5	CHEMBL1090132	CC1=CN([C@H]2C[C@@H]([C@@H](CO)O2)n3cc(nn3)c4ccccc4)C(=O)NC1=O	200000	nM
Q9PPP5	CHEMBL1090133	CC1=CN([C@H]2C[C@@H]([C@@H](CO)O2)n3cc(Cc4ccccc4)nn3)C(=O)NC1=O	73000	nM
Q9PPP5	CHEMBL1096828	CC1=CN([C@H]2C[C@@H]([C@@H](CO)O2)n3cc(CCc4ccccc4)nn3)C(=O)NC1=O	120000	nM
Q9PPP5	CHEMBL1091719	CC1=CN([C@H]2C[C@@H]([C@@H](CO)O2)n3cc(nn3)c4ccccn4)C(=O)NC1=O	211000	nM
Q9PPP5	CHEMBL1098218	CC1=CN([C@H]2C[C@@H]([C@@H](CO)O2)n3cc(nn3)C(C)(C)C)C(=O)NC1=O	318000	nM
Q9PPP5	CHEMBL1096815	CC1=CN([C@H]2C[C@@H]([C@@H](CO)O2)n3cc(CCCCl)nn3)C(=O)NC1=O	150000	nM
P45452	CHEMBL1352521	Sc1nc(cn1c2ccccc2)C3=Cc4ccccc4OC3=O	177000	nM
P45452	CHEMBL412064	Clc1cccc(\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O)c1	100000	nM
P45452	CHEMBL574445	CC(=O)OC(CCc1ccc(cc1)c2ccccc2)CC(=O)O	98000	nM
P45452	CHEMBL271616	OC(=O)c1ccc(CN2C=Nc3ccc(cc3C2=O)C#CCN4CCCCC4)cc1	75000	nM
P45452	CHEMBL271616	OC(=O)c1ccc(CN2C=Nc3ccc(cc3C2=O)C#CCN4CCCCC4)cc1	100000	nM
P45452	CHEMBL270296	N[C@@H]1CCCC[C@H]1NC(=O)P(=O)(O)O	55000	nM
P45452	CHEMBL270083	N[C@H]1CCCC[C@H]1NC(=O)P(=O)(O)O	100000	nM
P45452	CHEMBL574444	OC(CCc1ccc(cc1)c2oc3ccccc3c2)CC(=O)O	50200	nM
P45452	CHEMBL272188	OC(=O)c1ccc(CN2C=Nc3ccc(C=C=Cc4ccccc4)cc3C2=O)cc1	100000	nM
P45452	CHEMBL242073	[I-].C[C@]1(O)C2CC3[C@@H](C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O)[N+](C)(C)C	120000	nM
P45452	CHEMBL264164	Clc1ccccc1\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O	89430	nM
P45452	CHEMBL574666	OC(CCc1ccc(cc1)c2cccc(c2)C#N)CC(=O)O	52000	nM
P45452	CHEMBL572979	OC(=O)CC(=O)CCc1ccc(cc1)c2ccccc2	98000	nM
P45452	CHEMBL273114	OC(=O)c1ccc(CN2C=Nc3ccc(cc3C2=O)C#CCN4CCOCC4)cc1	65000	nM
P45452	CHEMBL273114	OC(=O)c1ccc(CN2C=Nc3ccc(cc3C2=O)C#CCN4CCOCC4)cc1	100000	nM
P45452	CHEMBL1703805	O=C(NCc1ccncc1)c2ccc(OCc3ccccc3)cc2	100000	nM
P45452	CHEMBL260886	COc1cc(\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O)ccc1O	100000	nM
P45452	CHEMBL407151	[O-][N+](=O)c1ccccc1\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O	64000	nM
P45452	CHEMBL261267	[O-][N+](=O)c1cccc(\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O)c1	55880	nM
P45452	CHEMBL572980	OC(=O)CSCCc1ccc(cc1)c2ccccc2	95200	nM
P45452	CHEMBL410649	[O-][N+](=O)c1ccc(\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O)cc1	55880	nM
P45452	CHEMBL551190	CC(C)[C@H](NS(=O)(=O)c1ccc2sc3ccccc3c2c1)C(=O)O	60000	nM
P45452	CHEMBL572926	OC(CCc1ccc(cc1)c2ccc(OCc3ccccc3)cc2)CC(=O)O	98000	nM
P45452	CHEMBL1440	CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O	180000	nM
P45452	CHEMBL161669	O=C1NC(=S)S/C/1=C\c2cccc(Oc3ccccc3)c2	55270	nM
P45452	CHEMBL583771	COC(CCc1ccc(cc1)c2ccccc2)CC(=O)O	98000	nM
P45452	CHEMBL572947	OC(=O)C[S+]([O-])CCc1ccc(cc1)c2ccccc2	95900	nM
P45452	CHEMBL585376	COc1ccc(cc1)S(=O)(=O)c2ccccc2CC(=O)O	55000	nM
P45452	CHEMBL1796293	O=C(NCc1ccncc1)c2ccc(Oc3ccccc3C#N)cc2	398107.17	nM
P45452	CHEMBL1796284	Cc1ccc(Oc2ccc(cc2)C(=O)NCC3CCCCC3)cc1	50118.72	nM
P45452	CHEMBL1796283	Cc1ccc(Oc2ccc(cc2)C(=O)NCCc3ccncc3)cc1	398107.17	nM
P45452	CHEMBL1796286	CN(C)CCCNC(=O)c1ccc(Oc2ccc(C)cc2)cc1	398107.17	nM
P45452	CHEMBL1796292	COc1cc(Oc2ccc(cc2)C(=O)NCc3ccncc3)ccc1[N+](=O)[O-]	398107.17	nM
P45452	CHEMBL1796280	Cc1ccc(Oc2ccc(cc2)C(=O)NCc3ccccc3)cc1	398107.17	nM
P45452	CHEMBL1796282	CN(Cc1ccncc1)C(=O)c2ccc(Oc3ccc(C)cc3)cc2	50118.72	nM
P45452	CHEMBL1796288	COc1ccc(cc1)C(=O)NCc2ccncc2	1000000	nM
P45452	CHEMBL1796290	O=C(NCc1ccncc1)c2ccc(OCCc3ccccc3)cc2	100000	nM
P45452	CHEMBL1927185	OC(=O)COc1ccccc1\C=C/2\NC(=S)NC2=O	67000	nM
P45452	CHEMBL1927187	COc1ccc(cc1OC)C2=CS\C(=N/c3ccccc3)\N2\N=C\c4ccccc4	140000	nM
P45452	CHEMBL1939861	CCOC(=O)c1cc2cc(NS(=O)(=O)C)ccc2[nH]1	97000	nM
P45452	CHEMBL1939863	CCCC(=O)c1cc2cc(ccc2[nH]1)C(=O)N	500000	nM
P45452	CHEMBL1939866	CC(=O)Nc1ccc2[nH]c(cc2c1)C3=NCCO3	220000	nM
P45452	CHEMBL1939870	CCOC(=O)c1cc2cc(ccc2[nH]1)c3ccncc3	82000	nM
P45452	CHEMBL1939864	CCNC(=O)c1cc2cc(ccc2[nH]1)C(=O)N	500000	nM
P45452	CHEMBL1927203	CCOC(=O)c1cccc(c1)N2C=C(NC2=S)C3=Cc4ccccc4OC3=O	300000	nM
P45452	CHEMBL1939867	CCOC(=O)c1cc2cc(ccc2[nH]1)c3ccccc3	500000	nM
P45452	CHEMBL1927186	COc1ccc(cc1)c2oc(\C=C/3\SC(=S)N(CC(=O)O)C3=O)cc2	120000	nM
P45452	CHEMBL1939868	CCOC(=O)c1cc2cc(ccc2[nH]1)c3ccccn3	500000	nM
P45452	CHEMBL1939879	Cn1nc(cc1c2ccc3[nH]c(cc3c2)C(=O)O)C(=O)NCc4ccc(cc4)C(=O)O	56000	nM
P45452	CHEMBL2064553	COc1ccc(cc1)S(=O)(=O)N(Cc2cn(CCOCCOCCOCCn3cc(CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c4ccc(OC)cc4)nn3)nn2)[C@H](C(C)C)C(=O)NO	100000	nM
P45452	CHEMBL2437163	Clc1ccc(OCC(=O)NNC(=S)NCCCCC2CCCCC2)cc1	100000	nM
P45452	CHEMBL3235416	CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc2ccccc2)CC(=O)O	100000	nM
P45452	CHEMBL3398610	Oc1ccccc1\C=C/2\S\C(=N/c3nsc4ccccc34)\NC2=O	100000	nM
P45452	CHEMBL3394285	ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F	100000	nM
P45452	CHEMBL3752826	CC(C)C(NS(=O)(=O)c1ccc(cc1)c2ccc(C)s2)P(=O)(O)O	100000	nM
P45452	CHEMBL3754314	COCc1ccc(s1)c2ccc(cc2)S(=O)(=O)NC(C(C)C)P(=O)(O)O	100000	nM
P19793	CHEMBL163161	COc1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1	100000	nM
P19793	CHEMBL236488	CNc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c5ccc(cc5)C(=O)O)C(C)(C)CCC4(C)C	100000	nM
P19793	CHEMBL391160	CN1c2ccc(NCc3ccccc3)cc2N=C(c4ccc(cc4)C(=O)O)c5cc6c(cc15)C(C)(C)CCC6(C)C	100000	nM
P19793	CHEMBL15770	C[S+]([O-])c1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1	82900	nM
P19793	CHEMBL163333	COc1cccc(\C=C/2\C(=C(CC(=O)O)c3cc(F)ccc23)C)c1	100000	nM
P19793	CHEMBL436999	CCCCNc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c5ccc(cc5)C(=O)O)C(C)(C)CCC4(C)C	100000	nM
P19793	CHEMBL2337778	CC(=O)Nc1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1	100000	nM
P19793	CHEMBL2337782	CC(C)c1ccc(\C=C\2/C(=C(CC(=O)N)c3cc(F)ccc23)C)cc1	100000	nM
P19793	CHEMBL2337799	CC1=C(CC(=O)O)c2cc(F)ccc2/C/1=C\c3ccc(cc3)C#N	100000	nM
P19793	CHEMBL2337791	CC(C)c1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(Cl)ccc23)C)cc1	100000	nM
P19793	CHEMBL2337798	CCOc1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1	100000	nM
P19793	CHEMBL2337777	CC1=C(CC(=O)O)c2cc(F)ccc2/C/1=C\c3cccc(c3)C#N	100000	nM
P19793	CHEMBL2337796	CC1=C(CC(=O)O)c2cc(F)ccc2/C/1=C\c3ccc(cc3)C(C)(C)C	100000	nM
P19793	CHEMBL2337797	CC1=C(CC(=O)O)c2cc(F)ccc2/C/1=C\c3ccc(cc3)c4ccccn4	100000	nM
P19793	CHEMBL2337785	CC(C)c1ccc(\C=C/2\C(=C(CC(=O)O)c3ccccc23)C)cc1	100000	nM
P19793	CHEMBL2337786	CC(C)c1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(C)ccc23)C)cc1	100000	nM
P19793	CHEMBL2337780	CC(C)c1ccc(\C=C/2\C(=C(CCC#N)c3cc(F)ccc23)C)cc1	100000	nM
P19793	CHEMBL2337781	CC(C)c1ccc(\C=C/2\C(=C(CC(=O)N)c3cc(F)ccc23)C)cc1	100000	nM
P19793	CHEMBL2337787	COc1ccc2\C(=C/c3ccc(cc3)C(C)C)\C(=C(CC(=O)O)c2c1)C	100000	nM
P19793	CHEMBL2337788	CCc1ccc2\C(=C/c3ccc(cc3)C(C)C)\C(=C(CC(=O)O)c2c1)C	100000	nM
P19793	CHEMBL2337790	CC(C)c1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(ccc23)C(C)C)C)cc1	100000	nM
P19793	CHEMBL2337800	CN(C)c1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1	100000	nM
Q13464	CHEMBL67352	O=C(Nc1ccncc1)c2cccnc2	75500	nM
Q13464	CHEMBL503641	CC(=O)Nc1ccc2[nH]ncc2c1	65000	nM
Q13464	CHEMBL601935	CN1CCCN(CC1)c2nc(cnc2N)c3ccncc3C	120000	nM
Q13464	CHEMBL17551	Nc1ccc2[nH]ncc2c1	181300	nM
Q13464	CHEMBL589656	CN1CCCN(CC1)c2nc(cnc2N)c3ccnc(C)c3	100000	nM
Q13464	CHEMBL591754	CN1CCCN(CC1)c2nc(cnc2N3CCOCC3)c4ccncc4	68000	nM
Q13464	CHEMBL1566648	Brc1cncc(c1)C(=O)Nc2ccncc2	270000	nM
Q13464	CHEMBL2023147	CN(C)C(=O)Nc1ccc2[nH]ncc2c1	59100	nM
Q13464	CHEMBL2023144	Fc1ccc(cc1)c2ccncc2C(=O)Nc3ccncc3	400000	nM
Q13464	CHEMBL2023148	O=C(Nc1ccccc1)Nc2ccc3[nH]ncc3c2	157100	nM
Q13464	CHEMBL2023145	Fc1ccc(cc1)c2cncc(c2)C(=O)Nc3ccncc3	400000	nM
Q13464	CHEMBL2022282	Clc1ccncc1C(=O)Nc2ccncc2	72500	nM
Q13464	CHEMBL3218287	CC[C@H](NC(=O)Nc1nc(cs1)c2ccncc2)c3ccccc3	52200	nM
P31751	CHEMBL362455	CC(C)(N)c1ccc(cc1)c2nc3ccccc3nc2c4ccccc4	250000	nM
P31751	CHEMBL389685	c1cnc2[nH]ccc2c1	100000	nM
P31751	CHEMBL228114	Cc1n[nH]cc1c2ccccc2	80000	nM
P31751	CHEMBL390066	c1ccc(cc1)c2cn[nH]c2	135000	nM
P31751	CHEMBL2338335	CN1C[C@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
P31751	CHEMBL2338334	CN1C[C@@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
P31751	CHEMBL2420909	C1CCC2(CCN(CC2)c3ncnc4[nH]cnc34)NC1	66000	nM
P24941	CHEMBL552136	Clc1ccc2N(CCc2c1)C(=O)C(=O)c3c[nH]c4ccc(Cl)cc34	915000	nM
P24941	CHEMBL557525	Fc1ccc2c(ccn2CCc3c[nH]c4ccccc34)c1	500000	nM
P24941	CHEMBL509499	Fc1cccc(c1)c2cccc(c2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	611000	nM
P24941	CHEMBL456797	COc1ccccc1c2cccc(c2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	1109000	nM
P24941	CHEMBL456964	Fc1cccc(c1)c2ccccc2C(=O)NCCc3c[nH]c4ccccc34	417000	nM
P24941	CHEMBL557321	Fc1ccc2[nH]cc(CCn3ccc4ccccc34)c2c1	200000	nM
P24941	CHEMBL549792	C(Cn1ccc2ccccc12)n3ccc4ccccc34	940000	nM
P24941	CHEMBL525530	CC(C)(C)c1ccc(cc1)c2ccccc2C(=O)NCCc3c[nH]c4ccccc34	262000	nM
P24941	CHEMBL498130	O=C(NCCc1c[nH]c2ccccc12)c3cccc(c3)c4ccccc4	1002000	nM
P24941	CHEMBL213805	CN(CCc1c[nH]c2ccccc12)C(=O)c3ccc(cc3)c4ccccc4	521000	nM
P24941	CHEMBL197226	NC1=NONC1N2N=NC(C2CN3CCCCC3)c4n[nH]c(n4)c5ccncc5	250000	nM
P24941	CHEMBL474441	CNc1ccc(cc1)c2ccc3c(n[nH]c3c2)c4nc5c(cccc5[nH]4)N6CCN(C)CC6	109000	nM
P24941	CHEMBL540971	Fc1ccc2N(CCc2c1)C(=O)C(=O)c3c[nH]c4ccccc34	790000	nM
P24941	CHEMBL558601	Clc1ccc2N(CCc2c1)C(=O)C(=O)c3c[nH]c4ccccc34	1030000	nM
P24941	CHEMBL553	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC	100000	nM
P24941	CHEMBL456584	Fc1ccccc1c2ccc(cc2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	310000	nM
P24941	CHEMBL456759	COc1cccc(c1)c2ccccc2C(=O)NCCc3c[nH]c4ccccc34	926000	nM
P24941	CHEMBL456965	COc1ccc(cc1)c2ccccc2C(=O)NCCc3c[nH]c4ccccc34	921000	nM
P24941	CHEMBL456995	Fc1ccc(cc1)c2ccc(cc2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	438000	nM
P24941	CHEMBL498521	CN(CCc1c[nH]c2ccccc12)C(=O)c3ccc(cc3)c4ccc(cc4)C(C)(C)C	745000	nM
P24941	CHEMBL285527	OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12	91000	nM
P24941	CHEMBL457190	Fc1ccccc1c2ccccc2C(=O)N3CCc4c(C3)[nH]c5ccccc45	434000	nM
P24941	CHEMBL515356	Cc1cccc(c1)c2ccccc2C(=O)N3CCc4c(C3)[nH]c5ccccc45	386000	nM
P24941	CHEMBL551612	Fc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc34)c2c1	1160000	nM
P24941	CHEMBL562198	Cc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc34)c2c1	951000	nM
P24941	CHEMBL559882	Cc1ccc2N(CCc2c1)C(=O)C(=O)c3c[nH]c4ccc(C)cc34	710000	nM
P24941	CHEMBL525921	CN(CCc1c[nH]c2ccccc12)C(=O)c3ccc(cc3)c4ccc(C)cc4	70000	nM
P24941	CHEMBL569847	Cc1ccc2[nH]cc(CCn3ccc4ccccc34)c2c1	400000	nM
P24941	CHEMBL525538	COc1ccc(cc1)c2ccc(cc2)C(=O)N(C)CCc3c[nH]c4ccccc34	289000	nM
P24941	CHEMBL549303	Clc1ccc2c(ccn2CCc3c[nH]c4ccc(Cl)cc34)c1	862000	nM
P24941	CHEMBL557050	C(CN1CCc2ccccc12)N3CCc4ccccc34	1230000	nM
P24941	CHEMBL458076	Cc1ccccc1c2cccc(c2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	665000	nM
P24941	CHEMBL456796	COc1cccc(c1)c2cccc(c2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	362000	nM
P24941	CHEMBL456378	Fc1cccc(c1)c2ccc(cc2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	296000	nM
P24941	CHEMBL457179	CN(CCc1c[nH]c2ccccc12)C(=O)c3ccc(cc3)c4ccncc4	92000	nM
P24941	CHEMBL457390	O=C(N1CCc2c(C1)[nH]c3ccccc23)c4ccccc4c5cccnc5	312000	nM
P24941	CHEMBL560393	C(CCn1ccc2ccccc12)CCn3ccc4ccccc34	950000	nM
P24941	CHEMBL258765	[Cl-].O=C1c2ccccc2[n+]3ccc4c5ccccc5[nH]c4c13	500000	nM
P24941	CHEMBL258765	[Cl-].O=C1c2ccccc2[n+]3ccc4c5ccccc5[nH]c4c13	500000	nM
P24941	CHEMBL561136	Cc1ccc2N(CCc2c1)C(=O)C(=O)c3c[nH]c4ccccc34	910000	nM
P24941	CHEMBL559683	Fc1ccc2N(CCc2c1)C(=O)C(=O)c3c[nH]c4ccc(F)cc34	816000	nM
P24941	CHEMBL228043	C\C(=C(/C#N)\C(=O)Nc1cc(Br)ccc1Br)\O	500000	nM
P24941	CHEMBL521733	O=C(NCCc1c[nH]c2ccccc12)c3ccc(cc3)c4ccccc4	855000	nM
P24941	CHEMBL496482	Cc1ccc(cc1)c2ccc(cc2)C(=O)NCCc3c[nH]c4ccccc34	816000	nM
P24941	CHEMBL498710	CC(C)(C)c1ccc(cc1)c2ccc(cc2)C(=O)NCCc3c[nH]c4ccccc34	790000	nM
P24941	CHEMBL557456	C(Cn1ccc2ccccc12)Cn3ccc4ccccc34	1070000	nM
P24941	CHEMBL563948	Fc1ccc2c(ccn2CCc3c[nH]c4ccc(F)cc34)c1	895000	nM
P24941	CHEMBL463384	Cc1cccc(c1)c2ccc(cc2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	405000	nM
P24941	CHEMBL456113	COc1ccccc1c2ccc(cc2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	321000	nM
P24941	CHEMBL515674	Fc1cccc(c1)c2ccccc2C(=O)N3CCc4c(C3)[nH]c5ccccc45	480000	nM
P24941	CHEMBL457191	Fc1ccc(cc1)c2cccc(c2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	318000	nM
P24941	CHEMBL456143	Cc1ccc(cc1)c2cccc(c2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	466000	nM
P24941	CHEMBL83719	CC(C)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)nc(NCCCO)nc12	100000	nM
P24941	CHEMBL498520	CN(CCc1c[nH]c2ccccc12)C(=O)c3ccc(cc3)c4ccc(F)cc4	875000	nM
P24941	CHEMBL515051	O=C(NCCc1c[nH]c2ccccc12)c3cccc(c3)c4cccnc4	150000	nM
P24941	CHEMBL557049	Clc1ccc2c(ccn2CCc3c[nH]c4ccccc34)c1	430000	nM
P24941	CHEMBL560278	Cc1ccc2c(ccn2CCc3c[nH]c4ccc(C)cc34)c1	960000	nM
P24941	CHEMBL498705	CN(CCc1c[nH]c2ccccc12)C(=O)c3ccc(cc3)c4ccc(cc4)c5ccccc5	91000	nM
P24941	CHEMBL496481	Fc1ccc(cc1)c2ccc(cc2)C(=O)NCCc3c[nH]c4ccccc34	764000	nM
P24941	CHEMBL527039	COc1ccc(cc1)c2ccc(cc2)C(=O)NCCc3c[nH]c4ccccc34	1085000	nM
P24941	CHEMBL457401	Fc1ccc(cc1)c2ccccc2C(=O)N3CCc4c(C3)[nH]c5ccccc45	357000	nM
P24941	CHEMBL551936	Clc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc34)c2c1	985000	nM
P24941	CHEMBL455931	Fc1ccccc1c2cccc(c2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	335000	nM
P24941	CHEMBL197077	NC1=NONC1N2N=NC(C2CN3CCCCC3)C(=O)N\N=C\c4ccncc4	96000	nM
P24941	CHEMBL556712	O=C(N1CCc2ccccc12)C(=O)c3c[nH]c4ccccc34	760000	nM
P24941	CHEMBL463383	Cc1ccc(cc1)c2ccc(cc2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	736000	nM
P24941	CHEMBL517154	Cc1ccccc1c2ccc(cc2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	340000	nM
P24941	CHEMBL456121	Cc1cccc(c1)c2ccccc2C(=O)NCCc3c[nH]c4ccccc34	406000	nM
P24941	CHEMBL558849	C(CCn1ccc2ccccc12)Cn3ccc4ccccc34	1026000	nM
P24941	CHEMBL549850	C(CCCn1ccc2ccccc12)CCn3ccc4ccccc34	1210000	nM
P24941	CHEMBL552214	C(Cn1ccc2ccccc12)c3c[nH]c4ccccc34	500000	nM
P24941	CHEMBL563159	Clc1ccc2[nH]cc(CCn3ccc4ccccc34)c2c1	500000	nM
P24941	CHEMBL556095	Cc1ccc2c(ccn2CCc3c[nH]c4ccccc34)c1	500000	nM
P24941	CHEMBL456112	COc1cccc(c1)c2ccc(cc2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	424000	nM
P24941	CHEMBL456760	COc1ccccc1c2ccccc2C(=O)NCCc3c[nH]c4ccccc34	375000	nM
P24941	CHEMBL457180	O=C(N1CCc2c(C1)[nH]c3ccccc23)c4ccccc4c5ccncc5	354000	nM
P24941	CHEMBL497454	Fc1ccc(cc1)c2ccccc2C(=O)NCCc3c[nH]c4ccccc34	1216000	nM
P24941	CHEMBL458075	Cc1cccc(c1)c2cccc(c2)C(=O)N3CCc4c(C3)[nH]c5ccccc45	465000	nM
P24941	CHEMBL2348177	N#Cc1ccc2ccn(c3ccncn3)c2c1	83000	nM
P24941	CHEMBL2348178	Nc1cc(ncn1)n2ccc3ccc(cc23)C#N	83000	nM
P24941	CHEMBL2348153	Nc1cc(ncn1)n2ccc3ccc(nc23)C#N	83000	nM
P24941	CHEMBL2348157	Nc1nccc(n1)n2cc(c3cccc(Cl)c3)c4cnccc24	83000	nM
P24941	CHEMBL2348163	Nc1nccc(n1)n2ccc3ncc(cc23)C#N	83000	nM
P24941	CHEMBL2348152	Nc1nccc(n1)n2cc(c3cccnc3Cl)c4cnc(Cl)cc24	83000	nM
P24941	CHEMBL3218002	ONC(=O)\C=C\c1ccn(c1)S(=O)(=O)c2ccc3ncnc(Nc4cccc(c4)C#C)c3c2	100000	nM
P24941	CHEMBL3421980	Cc1nccc(n1)c2cn(Cc3ccccc3)c4cnccc24	56703	nM
P24941	CHEMBL3355482	CN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3	100000	nM
P24941	CHEMBL3545110	CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N4CCNCC4)nc2n1C5CCCC5	76000	nM
P24941	CHEMBL3589661	OC(=O)c1nc2ccccc2c3[nH]c4c(Br)cccc4c13	100000	nM
P24941	CHEMBL3421977	Cc1nccc2c(c[nH]c12)c3ccnc(n3)c4ccc(cc4)S(=O)(=O)C	100000	nM
P24941	CHEMBL3421976	Cn1cc(c2ccnc(n2)c3ccc(cc3)S(=O)(=O)C)c4ccncc14	100000	nM
P24941	CHEMBL3616877	CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3	105100	nM
P24941	CHEMBL3616869	CSc1ccc(\C=N\c2cc(ccc2O)[N+](=O)[O-])cc1	151400	nM
P24941	CHEMBL3616869	CSc1ccc(\C=N\c2cc(ccc2O)[N+](=O)[O-])cc1	884700	nM
P24941	CHEMBL3616869	CSc1ccc(\C=N\c2cc(ccc2O)[N+](=O)[O-])cc1	69800	nM
P24941	CHEMBL3616869	CSc1ccc(\C=N\c2cc(ccc2O)[N+](=O)[O-])cc1	58150	nM
P24941	CHEMBL3616869	CSc1ccc(\C=N\c2cc(ccc2O)[N+](=O)[O-])cc1	55110	nM
P24941	CHEMBL3616869	CSc1ccc(\C=N\c2cc(ccc2O)[N+](=O)[O-])cc1	78330	nM
P24941	CHEMBL3616869	CSc1ccc(\C=N\c2cc(ccc2O)[N+](=O)[O-])cc1	52120	nM
P24941	CHEMBL3634037	Cc1[nH]c2CC(CC(=O)c2c1C3(C)NC4=C(C(=O)CC(C4)c5ccccc5)C3=O)c6ccccc6	91000	nM
P00734	CHEMBL360684	NC(=N)NCCCC(NC(=O)C1CCCC1)C(=O)c2nc3ccccc3s2	82000	nM
P00734	CHEMBL324168	NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(=N)N)cc1	62000	nM
P00734	CHEMBL388161	CNc1ccc(c(c1)C(=O)Nc2cccc(c2)C(=O)N)c3ccc(cc3C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N	200000	nM
P00734	CHEMBL176221	CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)Cc3nc4ccccc4s3	63000	nM
P00734	CHEMBL331930	OC(=O)CN[C@H](CC1CCCCC1)C(=O)N(CC(=O)ONCC2CCNCC2)C3CCCC3	133000	nM
P00734	CHEMBL212971	CC[C@@H](NCC(=O)O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc3ccc(cc3)C(=N)N	300000	nM
P00734	CHEMBL214356	NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)CNCC(=O)O)cc1	100000	nM
P00734	CHEMBL426333	CC(C)[C@@H](NCC(=O)O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc3ccc(cc3)C(=N)N	300000	nM
P00734	CHEMBL377702	NC1CCC(CC1)OC(=O)C2=Cc3cc(CCl)ccc3OC2=O	300000	nM
P00734	CHEMBL180219	NC(=N)NCCCC(NC(=O)[C@@H]1CCCN1)C(=O)c2nc3ccccc3s2	100000	nM
P00734	CHEMBL204528	NC(=N)Nc1cccc(OC(=O)C2=Cc3cc(CCl)ccc3OC2=O)c1	300000	nM
P00734	CHEMBL421276	Nc1n[nH]c(CCNOC(=O)CN(C2CCCC2)C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)n1	100000	nM
P00734	CHEMBL404534	NC(=N)NCCC[C@H](NC(=O)CN1CCN[C@H](CCCNC(=N)N)C1=O)C(=O)c2nccs2	200000	nM
P00734	CHEMBL78053	NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)C(=O)c4nccs4	100000	nM
P00734	CHEMBL120029	Nc1n[nH]c(CCCNOC(=O)CN(C2CCCC2)C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)n1	100000	nM
P00734	CHEMBL150926	C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc2ccccc2)C(=O)c3nccs3	1000000	nM
P00734	CHEMBL208638	NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1	100000	nM
P00734	CHEMBL215801	CC(C)(NCC(=O)O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc3ccc(cc3)C(=N)N	300000	nM
P00734	CHEMBL215357	CC(C)[C@@H](NCC(=O)O)C(=O)NC1(Cc2cccc3cccc(C1)c23)C(=O)NCc4ccc(cc4)C(=N)N	300000	nM
P00734	CHEMBL244219	COc1ccc(OC)c(c1)S(=O)(=O)N2CCC(CC2)N(Cc3ccc4ccc(cc4c3)C(=N)N)S(=O)(=O)C	100000	nM
P00734	CHEMBL244641	COc1ccc(OC)c(c1)S(=O)(=O)N2CCC(CC2)N(C\C=C\c3cccc(c3)C(=N)N)C(=O)CC(=O)O	100000	nM
P00734	CHEMBL205429	NC(=N)NCCCOC(=O)C1=Cc2cc(CCl)ccc2OC1=O	300000	nM
P00734	CHEMBL205396	NCCCOC(=O)C1=Cc2cc(CCl)ccc2OC1=O	300000	nM
P00734	CHEMBL436620	O=C(CCCc1ccccc1)N2CCC[C@H]2C(=O)N3CCC[C@@H]3C(=O)c4nccs4	1000000	nM
P00734	CHEMBL404226	C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccc(C)cc1)C(=O)NC(Cc2ccc(NC(=N)N)cc2)P(=O)(Oc3ccccc3)Oc4ccccc4	67000	nM
P00734	CHEMBL175473	CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC)C(=O)c3nc4ccccc4s3	100000	nM
P00734	CHEMBL120012	NC(=N)NC(=O)c1ccc(NOC(=O)CN(C2CCCC2)C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)cc1	100000	nM
P00734	CHEMBL424882	CC(C)[C@@H](NCC(=O)O)C(=O)NC1(Cc2ccccc2c3ccccc3C1)C(=O)NCc4ccc(cc4)C(=N)N	300000	nM
P00734	CHEMBL599872	CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]4C[C@H](N(C4)C1=O)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6CC6	100000	nM
P00734	CHEMBL311498	O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3	125000	nM
P00734	CHEMBL439391	CN1CCc2nc(sc2C1)C(=O)N[C@@H]3CCCCC[C@H]3NC(=O)c4cc5cc(Cl)ccc5[nH]4	100000	nM
P00734	CHEMBL375051	CNc1ccc(c(c1)C(=O)Nc2cccc(c2)C(=O)N)c3ccc(cc3C(=O)O)C(=O)NCC(C)C	200000	nM
P00734	CHEMBL112995	COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(=N)N)cc(OC)c1	62000	nM
P00734	CHEMBL204084	COc1cccc(CNC(=O)c2ccc(Oc3nc(Oc4cccc(c4)C(=N)N)c(F)c(N(C(C)C)C(C)C)c3F)c(c2)C(=O)O)c1.OC(=O)C(F)(F)F	69000	nM
P00734	CHEMBL384180	CC1(C)OB(OC1(C)C)c2ccc(CN=C(N)N)cc2	129000	nM
P00734	CHEMBL559015	Cl.CS(=O)(=O)c1ccccc1c2ccc(NC(=O)c3cc(nn3c4cccc(CN)c4)C(F)(F)F)c(F)c2	100000	nM
P00734	CHEMBL102134	CC(=O)O.NC(=N)c1cccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)c1	100000	nM
P00734	CHEMBL557679	NC(=N)c1ccc(CNC(=O)CN2C(=O)[C@H](CSc3ccccc23)NC(=O)CCC(=O)O)cc1.OC(=O)C(F)(F)F	300000	nM
P00734	CHEMBL557679	NC(=N)c1ccc(CNC(=O)CN2C(=O)[C@H](CSc3ccccc23)NC(=O)CCC(=O)O)cc1.OC(=O)C(F)(F)F	300000	nM
P00734	CHEMBL558275	Cc1nc(N)ccc1CNC(=O)CN2C(=O)[C@@H](N)CSc3ccccc23.OC(=O)C(F)(F)F	88000	nM
P00734	CHEMBL562901	CC(=O)N[C@@H]1CSc2ccccc2N(CC(=O)NCc3ccc(N)nc3C)C1=O.OC(=O)C(F)(F)F	133000	nM
P00734	CHEMBL564165	Cc1nc(N)ccc1CNC(=O)CN2C(=O)[C@H](N)CSc3ccccc23.OC(=O)C(F)(F)F	88000	nM
P00734	CHEMBL224485	CC(C)CNC(=O)c1ccc(c(c1)C(=O)O)c2ccccc2C(=O)Nc3ccc(cc3)C(=N)N	200000	nM
P00734	CHEMBL244221	COc1ccc(OC)c(c1)S(=O)(=O)N2CCC(CC2)N(Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)C	100000	nM
P00734	CHEMBL390266	COc1ccc(OC)c(c1)S(=O)(=O)N2CCC(CC2)N(C\C=C\c3cccc(c3)C(=N)N)S(=O)(=O)CC(=O)O	100000	nM
P00734	CHEMBL337718	ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cncc(Cl)c3	300000	nM
P00734	CHEMBL265127	COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc3c[nH]c4ccccc34)C(=O)[C@@H](N)Cc5c[nH]c6ccccc56)C1=O)C(=O)[C@@H](N)Cc7c[nH]c8ccccc78)C(=O)[C@@H](N)Cc9ccc(O)cc9	400000	nM
P00734	CHEMBL104937	NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3	56000	nM
P00734	CHEMBL100751	CN1CCc2nc(sc2C1)C(=O)N3CCN(CC3C(=O)N)S(=O)(=O)c4ccc5cc(Cl)ccc5c4	1000000	nM
P00734	CHEMBL150617	CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc2ccccc2)C(=O)c3nccs3	1000000	nM
P00734	CHEMBL100732	CN1CCc2nc(sc2C1)C(=O)N3CCN(CC3)S(=O)(=O)c4ccc5cc(Cl)ccc5c4	560000	nM
P00734	CHEMBL333098	NC(=N)NC(=O)CCNC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O	73000	nM
P00734	CHEMBL213120	CC(C)(C)[C@@H](NCC(=O)O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc3ccc(cc3)C(=N)N	300000	nM
P00734	CHEMBL448732	CC(C)[C@@H](NCC(=O)O)C(=O)NC1(Cc2ccncc2C1)C(=O)NCc3ccc(cc3)C(=N)N	100000	nM
P00734	CHEMBL213774	CC(C)[C@@H](NCC(=O)O)C(=O)NC1(Cc2cc3ccccc3cc2C1)C(=O)NCc4ccc(cc4)C(=N)N	300000	nM
P00734	CHEMBL205366	NCCOC(=O)C1=Cc2cc(CCl)ccc2OC1=O	284000	nM
P00734	CHEMBL244640	COc1ccc(OC)c(c1)S(=O)(=O)N2CCC(CC2)N(Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)CC(=O)O	100000	nM
P00734	CHEMBL215135	NC(=N)NCc1ccc(cc1)B(O)O.OC(=O)C(F)(F)F	146000	nM
P00734	CHEMBL376806	CNc1ccc(c(c1)C(=O)Nc2cccc(c2)C(=O)N)c3ccc(cc3C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O	200000	nM
P00734	CHEMBL19902	CC(=N)N1CC[C@@H](C1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O	100000	nM
P00734	CHEMBL339878	OC(=O)CN[C@H](CC1CCCCC1)C(=O)N(CC(=O)ONCCC2CCNCC2)C3CCCC3	74000	nM
P00734	CHEMBL583912	O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3	150000	nM
P00734	CHEMBL440394	Clc1ccc(cc1)n2cnnn2	330000	nM
P00734	CHEMBL205161	NC(=N)NCCOC(=O)C1=Cc2cc(CCl)ccc2OC1=O	107000	nM
P00734	CHEMBL205702	NC(=N)Nc1ccc(OC(=O)C2=Cc3cc(CCl)ccc3OC2=O)cc1	151000	nM
P00734	CHEMBL498640	CSCC[C@H](NC(=O)[C@H]1CCCN1)C(=O)NCc2ccc(cc2)C(=N)N	83000	nM
P00734	CHEMBL176016	CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)Cc3nc4ccccc4s3	58000	nM
P00734	CHEMBL238493	CS(=O)(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc2ccccc2)Oc3ccccc3	125000	nM
P00734	CHEMBL426187	CNc1ccc(c(c1)C(=O)Nc2ccc(CN)cc2)c3ccc(cc3C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N	200000	nM
P00734	CHEMBL163407	NC(=N)NCCC[C@H](NC(=O)CN1CCN[C@@H](CCCNC(=N)N)C1=O)C(=O)c2nccs2	150000	nM
P00734	CHEMBL257867	NC(=O)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c3nccs3	60000	nM
P00734	CHEMBL99483	Clc1ccc2cc(ccc2c1)S(=O)(=O)N3CCN(CC3)C(=O)c4nc5CCNCc5s4	2900000	nM
P00734	CHEMBL380008	ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)OC3CCNCC3	300000	nM
P00734	CHEMBL378185	C[C@@H](NC(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)NCc2ccc(nc2)C(=N)N	53600	nM
P00734	CHEMBL215556	CCC(C)C[C@@H](NCC(=O)O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc3ccc(cc3)C(=N)N	85000	nM
P00734	CHEMBL215870	CC(C)[C@@H](NCC(=O)O)C(=O)NC1(Cc2cccnc2C1)C(=O)NCc3ccc(cc3)C(=N)N	300000	nM
P00734	CHEMBL215870	CC(C)[C@@H](NCC(=O)O)C(=O)NC1(Cc2cccnc2C1)C(=O)NCc3ccc(cc3)C(=N)N	300000	nM
P00734	CHEMBL204086	N[C@@H](Cc1ccccc1)[C@H](O)CNS(=O)(=O)c2ccc3ccccc3c2	100000	nM
P00734	CHEMBL244436	COc1ccc(OC)c(c1)S(=O)(=O)N2CCC(CC2)N(Cc3ccc4ccc(cc4c3)C(=N)N)S(=O)(=O)CC(=O)O	100000	nM
P00734	CHEMBL1812013	[Na+].COCCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCCOC)cc12	375000	nM
P00734	CHEMBL1812005	[Na+].CCOC(=O)c1c(C)oc2cc(OC(=O)c3ccc(OC)cc3)c(OS(=O)(=O)[O-])cc12	520000	nM
P00734	CHEMBL1812002	[Na+].CCOC(=O)c1c(C)oc2cc(OC(C)C)c(OS(=O)(=O)[O-])cc12	13650000	nM
P00734	CHEMBL1812006	[Na+].COc1cc2oc(C)c(C(=O)OCC=C)c2cc1OS(=O)(=O)[O-]	3000000	nM
P00734	CHEMBL1812001	[Na+].CCOC(=O)c1c(C)oc2cc(OCC)c(OS(=O)(=O)[O-])cc12	20560000	nM
P00734	CHEMBL1812007	[Na+].COc1cc2oc(C)c(C(=O)N3CCOCC3)c2cc1OS(=O)(=O)[O-]	2000000	nM
P00734	CHEMBL1812004	[Na+].CCOC(=O)c1c(C)oc2cc(OC(=O)N3CCOCC3)c(OS(=O)(=O)[O-])cc12	25000000	nM
P00734	CHEMBL1814791	[Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OS(=O)(=O)[O-])cc12	2500000	nM
P00734	CHEMBL1812009	[Na+].CCOC(=O)c1c(CN2CCOCC2)oc3cc(OC)c(OS(=O)(=O)[O-])cc13	7000000	nM
P00734	CHEMBL1812017	[Na+].COc1cc2oc(C)c(C(=O)N3CCOCC3)c2cc1OCc4oc5cc(OC)c(OS(=O)(=O)[O-])cc5c4C(=O)N6CCOCC6	7100000	nM
P00734	CHEMBL1812018	[Na+].COc1cc2oc(C)c(C(=O)O)c2cc1OCc3oc4cc(OC)c(OS(=O)(=O)[O-])cc4c3C(=O)O	374000	nM
P00734	CHEMBL561613	CC(=O)N[C@H]1CSc2ccccc2N(CC(=O)NCc3ccc(cc3)C(=N)N)C1=O.OC(=O)C(F)(F)F	100000	nM
P00734	CHEMBL557472	N[C@H]1CSc2ccccc2N(CC(=O)NCc3ccc(cc3)C(=N)N)C1=O.OC(=O)C(F)(F)F	87000	nM
P00734	CHEMBL562093	CC(=O)N[C@H]1CSc2ccccc2N(CC(=O)NCc3ccc(N)nc3C)C1=O.OC(=O)C(F)(F)F	130000	nM
P00734	CHEMBL1812016	[Na+].CCOC(=O)c1c(COc2cc3c(C(=O)OCC)c(CN4CCOCC4)oc3cc2OC)oc5cc(OC)c(OS(=O)(=O)[O-])cc15	129000	nM
P00734	CHEMBL1811998	[Na+].COC(=O)c1c(C)oc2cc(OC)c(OS(=O)(=O)[O-])cc12	3000000	nM
P00734	CHEMBL1812000	[Na+].COCCOC(=O)c1c(C)oc2cc(OC)c(OS(=O)(=O)[O-])cc12	2000000	nM
P00734	CHEMBL1812003	[Na+].CCOC(=O)c1c(C)oc2cc(OCOC)c(OS(=O)(=O)[O-])cc12	16000000	nM
P00734	CHEMBL1812010	[Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)cc12	60000	nM
P00734	CHEMBL1811999	[Na+].COc1cc2oc(C)c(C(=O)OC(C)(C)C)c2cc1OS(=O)(=O)[O-]	3000000	nM
P00734	CHEMBL1812021	[Na+].CCOC(=O)c1c(C)oc2cc(OCc3oc4cc(OC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)c(OC)cc12	89000	nM
P00734	CHEMBL1812014	[Na+].CCOC(=O)c1c(C)oc2cc(OCC)c(OCc3oc4cc(OCC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)cc12	121000	nM
P00734	CHEMBL1812019	[Na+].[Na+].CCOC(=O)c1c(C)oc2cc(OCc3oc4cc(OC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)c(OS(=O)(=O)[O-])cc12	764000	nM
P00734	CHEMBL1812020	[Na+].[Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)cc12	365000	nM
P00734	CHEMBL1812008	[Na+].COc1cc2oc(C)c(C(=O)N3CCCCC3)c2cc1OS(=O)(=O)[O-]	2000000	nM
P00734	CHEMBL1927653	N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)O	601000	nM
P00734	CHEMBL1945669	COC(=O)c1cccc(c1)c2ccc(NC(=O)c3ccc4cc(ccc4c3)C(=O)N)cc2	125000	nM
P00734	CHEMBL1945764	COC(=O)c1cccc(c1)c2ccc(NC(=O)c3ccc4cc(OC)ccc4c3)cc2	62000	nM
P00734	CHEMBL1945765	COc1cccc(c1)c2ccc(NC(=O)c3ccc4cc(OC)ccc4c3)cc2	62000	nM
P00734	CHEMBL1945766	COc1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)c4cccc(c4)[N+](=O)[O-]	62000	nM
P00734	CHEMBL1945757	NC(=O)c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)c4cccc(c4)C(F)(F)F	62000	nM
P00734	CHEMBL1927664	C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc4ccc(C)cc4)C(=O)N	73000	nM
P00734	CHEMBL1945767	COc1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)c4cccc(c4)C(F)(F)F	62000	nM
P00734	CHEMBL1945918	COC(=O)c1cccc(c1)c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2	62000	nM
P00734	CHEMBL1945236	NC(=N)c1ccc(\C=C/2\N=C(OC2=O)c3ccccc3)cc1	56100	nM
P00734	CHEMBL1945236	NC(=N)c1ccc(\C=C/2\N=C(OC2=O)c3ccccc3)cc1	100000	nM
P00734	CHEMBL1927662	C[C@H](CCCNC(=N)N)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N3CCC[C@H]3C(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccc(C)cc4)C(=O)N	98000	nM
P00734	CHEMBL1945756	COc1cccc(c1)c2ccc(NC(=O)c3ccc4cc(ccc4c3)C(=O)N)cc2	62000	nM
P00734	CHEMBL2040983	Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc4ccc(cc4)N5CCOCC5=O)cc1	500000	nM
P00734	CHEMBL2159386	Cl.COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc(cc2)C(=N)N)cc1OC	500000	nM
P00734	CHEMBL2159367	Cl.COc1cccc(NS(=O)(=O)c2ccc(cc2)C(=N)N)c1	500000	nM
P00734	CHEMBL2159370	Cl.COc1ccc(CNS(=O)(=O)c2ccc(cc2)C(=N)N)cc1	500000	nM
P00734	CHEMBL2159295	NC(=[NH2+])c1ccc(cc1)S(=O)(=O)NCC(=O)Nc2ccc(cc2)C(=O)O.[O-]C(=O)C(F)(F)F	500000	nM
P00734	CHEMBL2159372	Cl.COc1ccc(CNS(=O)(=O)c2ccc(cc2)C(=N)N)cc1OC	500000	nM
P00734	CHEMBL2159366	Cl.COc1ccc(NS(=O)(=O)c2ccc(cc2)C(=N)N)cc1	500000	nM
P00734	CHEMBL2159296	NC(=[NH2+])c1ccc(cc1)S(=O)(=O)NCC(=O)Nc2cccc(c2)C(=O)O.[O-]C(=O)C(F)(F)F	500000	nM
P00734	CHEMBL2159298	NC(=[NH2+])c1ccc(cc1)S(=O)(=O)NCCC(=O)Nc2cccc(c2)C(=O)O.[O-]C(=O)C(F)(F)F	500000	nM
P00734	CHEMBL2159384	Cl.COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(cc2)C(=N)N)cc1OC	500000	nM
P00734	CHEMBL2159297	NC(=[NH2+])c1ccc(cc1)S(=O)(=O)NCCC(=O)Nc2ccc(cc2)C(=O)O.[O-]C(=O)C(F)(F)F	500000	nM
P00734	CHEMBL2159365	Cl.NC(=N)c1ccc(cc1)S(=O)(=O)Nc2ccccc2	500000	nM
P00734	CHEMBL2159368	Cl.COc1ccc(NS(=O)(=O)c2ccc(cc2)C(=N)N)cc1OC	500000	nM
P00734	CHEMBL2312000	Cc1ccc(CN2C(C3=C(Oc4ccccc4C3=O)C2=O)c5cccc(OS(=O)(=O)O)c5)cc1	743000	nM
P00734	CHEMBL2159380	Cl.COc1ccc(CNS(=O)(=O)c2cccc(c2)C(=N)N)cc1OC	500000	nM
P00734	CHEMBL2312001	OS(=O)(=O)Oc1ccc(NC(=O)c2cccc(c2)N3C(=O)c4ccc(cc4C3=O)C(=O)Nc5ccc(OS(=O)(=O)O)cc5)cc1	286000	nM
P00734	CHEMBL2425343	NCCCC[C@H](NC(=O)Cc1cccc(c1)c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC3CCN(CC3)C(=N)N	100000	nM
P00734	CHEMBL2425137	OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]1O	75000	nM
P00734	CHEMBL3084981	CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)c3nc4ccccc4s3)[C@@H]5CC[C@@H](N)CC5	100000	nM
P00734	CHEMBL3084980	CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)c3nc4ccccc4s3)[C@@H]5CC[C@@H](N)CC5	100000	nM
P00734	CHEMBL3277930	Cl.NC(=N)c1cccc(OCc2ccc3cc(COc4cccc(c4)C(=N)N)ccc3c2)c1	72000	nM
P00734	CHEMBL3359897	[Na+].COc1cc2occ(C(=O)OC(C)(C)C)c2cc1OCc3nc4ccc(OS(=O)(=O)[O-])cc4s3	146000	nM
P00734	CHEMBL3277926	Cl.NC(=N)c1ccc(COc2cccc3c(OCc4ccc(cc4)C(=N)N)cccc23)cc1	80000	nM
P00734	CHEMBL3330442	Clc1ccc(s1)C(=O)NC[C@@H]2OC(=O)N3[C@H]2COc4cc(ccc34)N5CCOCC5=O	100000	nM
P00734	CHEMBL3330482	Clc1ccc(s1)C(=O)NC[C@@H]2OC(=O)N3[C@H]2CSc4cc(ccc34)N5CCOCC5=O	100000	nM
P00734	CHEMBL3330493	Clc1ccc(s1)C(=O)NC[C@@H]2OC(=O)N3[C@H]2CNc4cc(ccc34)N5CCOCC5=O	100000	nM
P00734	CHEMBL3330490	Clc1ccc(s1)C(=O)NC[C@@H]2OC(=O)N3[C@H]2CCc4cc(ccc34)N5CCOCC5=O	100000	nM
P00734	CHEMBL3359902	[Na+].CCOC(=O)c1c(Cc2ccccc2)oc3cc(OC)c(OCc4[nH]c5ccc(OS(=O)(=O)[O-])cc5c4C(=O)OCC)cc13	327000	nM
P00734	CHEMBL3359899	[Na+].Cc1nc2ccc(OCc3nc4ccc(OS(=O)(=O)[O-])cc4s3)cc2s1	327000	nM
P00734	CHEMBL3317857	OB1O[C@H](CC(=O)O)CC[C@@H]1NC(=O)Cc2cccs2	1000000	nM
P00734	CHEMBL3359903	[Na+].CCOC(=O)c1c(C)[nH]c2ccc(OCc3c(C(=O)OCC)c4cc(OS(=O)(=O)[O-])ccc4n3C(=O)OC(C)(C)C)cc12	425000	nM
P00734	CHEMBL3350703	OS(=O)(=O)Oc1cccc(C(=O)CSc2nc(c(C#N)c(c3ccc(OCc4ccccc4)cc3)c2C#N)[N+](=O)[O-])c1OS(=O)(=O)O	65900	nM
P00734	CHEMBL3359576	CN1CCCN(CC1)c2ccc(cc2)C(=O)Nc3c(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)cc(Cl)cc3C(=O)Nc5ccc(Cl)cn5	100000	nM
P00734	CHEMBL3359904	[Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5[nH]c6ccc(OS(=O)(=O)[O-])cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12	304000	nM
P00734	CHEMBL3354240	CC(C)N1CCC(CC1)C(=O)Nc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)cc(Br)cc2C(=O)Nc4ccc(Cl)cn4	100000	nM
P00734	CHEMBL3354239	CC(C)N1CCC(CC1)C(=O)Nc2c(O)cc(Br)cc2C(=O)Nc3ccc(Cl)cn3	100000	nM
P00734	CHEMBL3740183	CCCCNC(=O)c1ccn2c(NCc3ccc(NC(=N)N)cc3)cnc2c1	100000	nM
P00734	CHEMBL1184949	NC(=N)Nc1ccc(cc1)C(NC(=O)OCc2ccccc2)P(=O)(Oc3ccccc3)Oc4ccccc4	250000	nM
P00734	CHEMBL3771195	Nc1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc3ccccc3)Oc4ccccc4)cc1	62000	nM
P23526	CHEMBL365452	Nc1ncnc2c1ncn2[C@H]3[C@H](O)[C@H](O)C(=C3F)CS	97270	nM
P23526	CHEMBL261619	Nc1nc(N)c2ncn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1	90700	nM
P23526	CHEMBL406942	Nc1ncnc2c1ncn2[C@@H]3C[C@H](N=[N+]=[N-])[C@@H](O)[C@H]3O	123000	nM
P23526	CHEMBL183737	Nc1ncnc2c1ncn2[C@H]3[C@H](O)[C@H](O)C(=C3F)CN=[N+]=[N-]	100000	nM
P23526	CHEMBL445416	N[C@@H]1C[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23	500000	nM
P23526	CHEMBL258722	Nc1ncnc2c1ncn2[C@@H]3C[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]3O	163000	nM
P23526	CHEMBL261395	N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23	76000	nM
P23526	CHEMBL200935	Nc1ncnc2c1ccn2[C@@H]3C=C(CO)[C@@H](O)[C@H]3O	100000	nM
P23526	CHEMBL363897	Nc1ncnc2c1ncn2[C@H]3[C@H](O)[C@H](O)C(=C3F)CF	100000	nM
P23526	CHEMBL1672010	Nc1ncnc2c1ncn2[C@H]3[C@H](O)[C@H](O)C(=C3I)CO	1000000	nM
P23526	CHEMBL1672011	Nc1ncnc2c1ncn2[C@H]3[C@H](O)[C@H](O)C=C3Cl	1000000	nM
P23526	CHEMBL302376	NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23	75020	nM
P23526	CHEMBL129469	Nc1nc(F)nc2c1ncn2[C@@H]3C[C@H](O)[C@@H](O)[C@H]3O	63000	nM
P23526	CHEMBL1672012	Nc1ncnc2c1ncn2[C@H]3[C@H](O)[C@H](O)C=C3Br	1000000	nM
P23526	CHEMBL1672013	Nc1ncnc2c1ncn2[C@H]3[C@H](O)[C@H](O)C=C3I	1000000	nM
P23526	CHEMBL1672009	Nc1ncnc2c1ncn2[C@H]3[C@H](O)[C@H](O)C(=C3Br)CO	60170	nM
P23526	CHEMBL3322543	CN(C1CCNCC1)C(=O)CN(CC(=O)NCCN2CCCC2)c3cc(Cl)ccc3Oc4ccc(Cl)cc4	100000	nM
P23526	CHEMBL3322537	Clc1ccc(Oc2ccc(Cl)cc2N(CC(=O)NCCN3CCCC3)CC(=O)N4Cc5ccccc5C4)cc1	100000	nM
P23526	CHEMBL3322537	Clc1ccc(Oc2ccc(Cl)cc2N(CC(=O)NCCN3CCCC3)CC(=O)N4Cc5ccccc5C4)cc1	100000	nM
P23526	CHEMBL3580895	OCC1=C[C@H]([C@H](O)[C@@H]1O)n2ccc3c(O)ncnc23	100000	nM
P23526	CHEMBL3580894	CNc1ncnc2c1ccn2[C@@H]3C=C(CO)[C@@H](O)[C@H]3O	100000	nM
P23526	CHEMBL3580896	Nc1ncnc2c1ccn2[C@H]3[C@H](O)[C@H](O)C(=C3F)CO	100000	nM
P23526	CHEMBL3580897	CNc1ncnc2c1ccn2[C@H]3[C@H](O)[C@H](O)C(=C3F)CO	100000	nM
P23526	CHEMBL3580898	OCC1=C(F)[C@H]([C@H](O)[C@@H]1O)n2ccc3c(O)ncnc23	100000	nM
P23526	CHEMBL3580899	Nc1ncnc2c1ccn2[C@@H]3C=C(CCO)[C@@H](O)[C@H]3O	100000	nM
P23526	CHEMBL3597814	CC(C1CCNCC1)C(=O)CN(CC(=O)NCCN2CCCC2)c3cc(Cl)ccc3Oc4ccc(Cl)cc4	100000	nM
P23526	CHEMBL3597815	CN(CCN1CCCC1)C(=O)CN(CC(=O)N(C)C2Cc3ccccc3C2)c4cc(Cl)ccc4Oc5ccc(Cl)cc5	100000	nM
P28845	CHEMBL395391	CCN1CCN(CC1)C(=O)C23CC4CC(CC(O)(C4)C2)C3	53000	nM
P28845	CHEMBL394930	O=C(N1CCN(CC1)C(=O)C23CC4CC(CC(C4)C2)C3)c5ccccc5	100000	nM
P28845	CHEMBL391616	FC(F)(F)c1ccc(cc1)C(=O)NS(=O)(=O)c2ccccc2	100000	nM
P28845	CHEMBL247969	CCN1CCN(CC1)C(=O)c2ccccc2	100000	nM
P28845	CHEMBL247380	Cc1ccc(cc1)C23CC4CC(CC(C4)(C2)C(=O)N5CCN(CC5)S(=O)(=O)c6ccccc6)C3	64000	nM
P28845	CHEMBL391978	Clc1cccc(c1)C(=O)NS(=O)(=O)c2ccccc2	100000	nM
P28845	CHEMBL241150	Cc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2	100000	nM
P28845	CHEMBL128729	COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O	70901	nM
P28845	CHEMBL196015	Cc1coc(NS(=O)(=O)c2cccc(Cl)c2C)n1	58700	nM
P28845	CHEMBL194096	COC(=O)Cc1c(Cl)cccc1S(=O)(=O)Nc2occ(C)n2	100000	nM
P28845	CHEMBL240980	CC(C)(C)C(=O)CS(=O)(=O)c1ccccc1	90000	nM
P28845	CHEMBL241149	O=C(NS(=O)(=O)c1ccccc1)c2ccccc2	100000	nM
P28845	CHEMBL239675	OC(CS(=O)(=O)c1ccccc1)c2ccc(cc2)C(F)(F)F	100000	nM
P28845	CHEMBL371050	Cc1coc(NS(=O)(=O)c2cccc(Cl)c2CC(=O)O)n1	100000	nM
P28845	CHEMBL248168	CCN1CCN(CC1)C(=O)C2CCCCC2	53000	nM
P28845	CHEMBL245954	O=C(N1CCN(CC1)c2ccccc2)C34CC5CC(CC(C5)C3)C4	100000	nM
P28845	CHEMBL189770	Clc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2	100000	nM
P28845	CHEMBL396926	O=C(N1CCN(CC1)S(=O)(=O)c2ccccc2)C34CC5CC(CC(C5)C3)C4	100000	nM
P28845	CHEMBL247769	CCN1CCN(CC1)C(=O)CC2CCCCC2	100000	nM
P28845	CHEMBL558695	C[C@@H]1CN(C[C@H](C)O1)c2ccc(c(Cl)c2)S(=O)(=O)N3CCN(C[C@H]3C)c4ccc(F)cc4C(F)(F)F	185000	nM
P28845	CHEMBL372623	CN(C(=O)C)c1ccc(cc1)S(=O)(=O)Nc2oc(C)c(C)n2	100000	nM
P28845	CHEMBL392198	CCN1CCN(CC1)C(=O)C(C)(C)C	100000	nM
P28845	CHEMBL246745	CCN1CCN(CC1)C(=O)C2CC2	100000	nM
P28845	CHEMBL2036241	NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN4CCCN(c5ccc(F)cc5)S4(=O)=O)C(C3)C2	351000	nM
P28845	CHEMBL2402465	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]34C[C@H](C[C@H](O)[C@@H]23)C(=C)[C@H]4O)NC(=O)NC56CC7CC(CC(C7)C5)C6	403700	nM
P28845	CHEMBL3764331	CC(C)C1=CC[C@H](CO)[C@]12CC[C@@](C)(O)[C@@H](O)C2	1000000	nM
P28845	CHEMBL3765531	CC(C)C1=CC[C@H](CO)[C@]12CC[C@@](C)(O)C[C@H]2O	1000000	nM
P28845	CHEMBL3765723	CC(C)C1=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@]12CC[C@@]3(O[Si](C)(C)C(C)(C)C)O[C@H]3C2	1000000	nM
P28845	CHEMBL3763401	CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]12CCC(=O)C=C2	1000000	nM
P28845	CHEMBL3765682	CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]12CCC(=C)C=C2	1000000	nM
P28845	CHEMBL3764479	CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]12C[C@H](OC(=O)C)[C@H](O)C=C2	1000000	nM
P28845	CHEMBL3765212	CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@]12CCC(=O)[C@H](C2)OC(=O)C	1000000	nM
P28845	CHEMBL3763525	CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@]12CCC(=C)[C@H](C2)OC(=O)C	1000000	nM
P28845	CHEMBL3764551	CCOC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]12C[C@H](OC(=O)C)C(=C)C(=O)C2	1000000	nM
P28845	CHEMBL3764618	CC(C)[C@@H]1CC[C@H](CO)[C@]12CC[C@](C)(O)[C@H]3O[C@@H]23	1000000	nM
P28845	CHEMBL3764068	CC(C)[C@@H]1CC[C@H](CO)[C@]12CC[C@@](C)(O)[C@H]3O[C@@H]23	1000000	nM
P28845	CHEMBL3763488	CC(C)[C@@H]1CC[C@@H]2CO[C@@H]3[C@H](O)[C@](C)(O)CC[C@]123	1000000	nM
P28845	CHEMBL3765130	CC(C)[C@@H]1CC[C@@H]2CO[C@@H]3C[C@](C)(O)CC[C@]123	1000000	nM
P28845	CHEMBL3763510	CC(C)[C@@H]1CC[C@H](CO)[C@]12CC[C@@](C)(O)C[C@H]2O	1000000	nM
P28845	CHEMBL3764521	CC(C)[C@@H]1CC[C@H](CO)[C@]12CC[C@@](C)(O)[C@@H](O)C2	1000000	nM
P28845	CHEMBL3765443	OC[C@H]1Cc2ccccc2[C@@]13CCC(=O)C=C3	1000000	nM
P28845	CHEMBL3763945	C[C@@]1(O)CC[C@]23[C@@H](CO[C@@H]2[C@@H]1O)Cc4ccccc34	1000000	nM
P28845	CHEMBL3765260	OC[C@H]1Cc2ccccc2[C@@]13CCC(=O)[C@H]4O[C@@H]34	1000000	nM
P28845	CHEMBL3763712	OC(=O)[C@H]1Cc2ccccc2[C@@]13CCC(=O)C=C3	1000000	nM
P28845	CHEMBL3764859	CC1=CC[C@@]2([C@H](O)[C@@H]1O)[C@H](Cc3ccccc23)C(=O)O	1000000	nM
P28845	CHEMBL3765659	C[C@H]1CC[C@@]2([C@H](O)[C@@H]1O)[C@H](Cc3ccccc23)C(=O)O	1000000	nM
P28845	CHEMBL3764563	COc1ccc(cc1)S(=O)(=O)NCc2cn(C[C@H]3CC=C(C(C)C)[C@@]34CCC(=O)C=C4)nn2	1000000	nM
P28845	CHEMBL3764151	CC(C)C1=CC[C@H](Cn2cc(CNC(=O)OC(C)(C)C)nn2)[C@]13CCC(=O)C=C3	1000000	nM
P28845	CHEMBL3765656	CC(C)C1=CC[C@H](CN2C(=O)c3ccccc3C2=O)[C@]14CCC(=O)C=C4	1000000	nM
P28845	CHEMBL3763599	CC(C)C1=CC[C@H](CN2C(=O)c3ccccc3S2(=O)=O)[C@]14CCC(=O)C=C4	341000	nM
P28845	CHEMBL3764299	CC(C)C1=CC[C@H](Cn2cc(CN(c3ncccn3)S(=O)(=O)c4ccc(N)cc4)nn2)[C@]15CCC(=O)C=C5	1000000	nM
P28845	CHEMBL3764111	CC(C)C1=CC[C@H](CSc2ccc3ccccc3c2)[C@]14CCC(=O)C=C4	1000000	nM
P28845	CHEMBL3764025	CC(C)C1=CC[C@H](CSc2nnnn2c3ccccc3)[C@]14CCC(=O)C=C4	1000000	nM
P28845	CHEMBL3764965	CCCCCCSc1nnc(SC[C@H]2CC=C(C(C)C)[C@@]23CCC(=O)C=C3)s1	1000000	nM
P28845	CHEMBL3765604	CC(C)C1=CC[C@H](CSc2oc3ccccc3n2)[C@]14CCC(=O)C=C4	1000000	nM
P28845	CHEMBL3764012	CC(C)C1=CC[C@H](CSc2nc3ccccc3s2)[C@]14CCC(=O)C=C4	1000000	nM
P28845	CHEMBL3765321	CC(C)C1=CC[C@H](C(=O)NCC2CCC3CC2C3(C)C)[C@]14CCC(=O)C=C4	94000	nM
P28845	CHEMBL3765140	CC(C)C1=CC[C@H](C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)[C@]15CCC(=O)C=C5	85000	nM
P28845	CHEMBL3765258	CC(C)C1=CC[C@H](C(=O)NCc2cc(F)cc(F)c2)[C@]13CCC(=O)C=C3	1000000	nM
P28845	CHEMBL3765590	CC(C)C1=CC[C@H](C(=O)NCCc2cccs2)[C@]13CCC(=O)C=C3	1000000	nM
P28845	CHEMBL3764221	CC(C)C1=CC[C@H](C(=O)Nc2ncc(s2)c3ccc(Cl)cc3)[C@]14CCC(=O)C=C4	122000	nM
P28845	CHEMBL3763813	CC(C)C1=CC[C@H](CS(=O)(=O)c2nnnn2c3ccccc3)[C@]14CCC(=O)C=C4	245000	nM
P28845	CHEMBL3763512	CCn1c2ccccc2c3nnc(nc13)S(=O)(=O)C[C@H]4CC=C(C(C)C)[C@@]45CCC(=O)C=C5	74000	nM
P28845	CHEMBL3765510	CCCCCCSc1nnc(s1)S(=O)(=O)C[C@H]2CC=C(C(C)C)[C@@]23CCC(=O)C=C3	121000	nM
P28845	CHEMBL3763513	CC(C)C1=CC[C@H](CS(=O)(=O)c2oc3ccccc3n2)[C@]14CCC(=O)C=C4	1000000	nM
P28845	CHEMBL3764356	CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3s2)[C@]14CCC(=O)C=C4	1000000	nM
P28845	CHEMBL3764924	CC(C)C1=CC[C@H](CO)[C@]12CCC(=O)C=C2	1000000	nM
P28845	CHEMBL3763293	CC1=CC[C@H](CO)[C@]12CCC(=O)C=C2	1000000	nM
P28845	CHEMBL3763916	OC[C@H]1CC=C(c2ccccc2)[C@@]13CCC(=O)C=C3	1000000	nM
P28845	CHEMBL3765092	CC(C)C1=CC[C@H](CO)[C@]12CCC(=CC2)C	1000000	nM
P28845	CHEMBL3765104	CC(C)C1=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@]12CCC(=CC2=O)C	1000000	nM
P28845	CHEMBL3763272	CCOC(=O)[C@H]1CCC(=C)[C@@]12CCC(=O)C=C2	1000000	nM
P28845	CHEMBL3764226	OC[C@H]1CC=C(COCc2ccccc2)[C@@]13CCC(=O)C=C3	1000000	nM
P28845	CHEMBL3764519	CC(C)C1=CC[C@H](C(=O)O)[C@]12CCC(=O)C=C2	1000000	nM
P28845	CHEMBL3763867	CC(C)(C)[Si](C)(C)OCCC1=CC[C@H](CO)[C@]12CCC(=O)C=C2	1000000	nM
P28845	CHEMBL3763928	CCOC[C@H]1CC=C(C(C)C)[C@@]12CCC(=O)C=C2	1000000	nM
P28845	CHEMBL3764120	COC1(CC[C@@]2(C=C1)[C@@H](CO)CC=C2C(C)C)OC	1000000	nM
P28845	CHEMBL3765467	CCOC(=O)[C@H]1CC=C(C(C)C)[C@@]12C[C@H](OC(=O)C)C(=O)C=C2	1000000	nM
P28845	CHEMBL3765185	CC(C)C1=CC[C@H](C(=O)N)[C@]12CCC(=O)C=C2	1000000	nM
P28845	CHEMBL3765626	CC(C)C1=CC[C@H](CO)[C@]12CC[C@@](C)(O)C=C2	1000000	nM
P28845	CHEMBL3763445	CC(C)C1=CC[C@H]2C(=O)O[C@@H]3CC(=O)CC[C@]123	1000000	nM
P28845	CHEMBL3764064	CC(C)C1=CC[C@H](CO)C12CCC(=O)CC2	1000000	nM
P28845	CHEMBL3765438	CC(C)C1=CC[C@H](CO)[C@]12CCC(=O)[C@H]3O[C@@H]23	1000000	nM
P28845	CHEMBL3764932	CC(C)C1=CC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)[C@]12CC[C@@](C)(O)C=C2	1000000	nM
P28845	CHEMBL3763959	CC(C)C1=CC[C@H](CO)[C@]12CC[C@](C)(O)[C@H]3O[C@@H]23	1000000	nM
P28845	CHEMBL3765756	CC(C)C1=CC[C@H](CO)[C@]12CC[C@](C)(O)[C@@H](O)C2	1000000	nM
P18031	CHEMBL600457	CC1(C)Oc2ccc(C3=COc4cc(O)ccc4C3=O)c(O)c2C=C1	66300	nM
P18031	CHEMBL451532	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O	60000	nM
P18031	CHEMBL611368	COc1c(CC=C(C)C)c(O)cc2oc(cc12)c3ccc(O)cc3O	71200	nM
P18031	CHEMBL513212	COc1c(CC=C(C)C)cc(cc1\C=C\C(C)(C)O)[C@@H]2CC(=O)c3ccc(O)cc3O2	60000	nM
P18031	CHEMBL516006	CC1(C)Oc2ccc(cc2C(O)C1O)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3	60000	nM
P18031	CHEMBL463947	CC(=CCc1cc(ccc1O)[C@H]2Oc3c(CC=C(C)C)c(O)ccc3C(=O)[C@@H]2O)C	75100	nM
P18031	CHEMBL497510	OC(=O)c1cccc(N\N=C\2/C(=O)Nc3ccc(cc23)C(=O)NCc4ccc(Cl)cc4)c1	300000	nM
P18031	CHEMBL458813	CC1(C)CC(=O)c2cc(cc(O)c2O1)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3	60000	nM
P18031	CHEMBL484145	COc1cc(ccc1O)C(=O)\C=C\c2ccc3ccccc3c2	123030	nM
P18031	CHEMBL236008	OC(=O)COc1c(O)cc(Br)cc1OCc2ccccc2	300000	nM
P18031	CHEMBL371922	CC(C)C[C@H](NC(=O)c1ccn2c(cc(C#N)c2c1)C(=O)O)C(=O)NC(CC(=O)O)c3ccccc3	100000	nM
P18031	CHEMBL200386	CC(C)C[C@H](Oc1cccc2c(cc(C(=O)O)n12)C#N)C(=O)NC(CC(=O)O)c3ccccc3	100000	nM
P18031	CHEMBL381633	CC(C)CC(C(=O)NC(CC(=O)O)c1ccccc1)c2ccc3c(cc(C(=O)O)n3c2)C#N	100000	nM
P18031	CHEMBL409618	CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3c[nH]c4ccccc34)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)O	100000	nM
P18031	CHEMBL202917	COc1cc(C2=NOC(C2)c3ccccc3)c(OC)c4ccoc14	76000	nM
P18031	CHEMBL199133	CN(Cc1ccccc1)C(=O)CN(Cc2ccc(OCC(=O)O)cc2)Cc3ccc(cc3)C(F)(F)P(=O)(O)O	67500	nM
P18031	CHEMBL202687	CC(C)(C)OC(=O)N1Cc2cc(NS(=O)(=O)O)ccc2C[C@H]1C(=O)NCCc3ccccc3	51400	nM
P18031	CHEMBL206489	CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCc3ccc(cc3)C(F)(F)F	224800	nM
P18031	CHEMBL208485	COc1c(ccc2occc12)C3=NOC(C3)c4ccccc4	76000	nM
P18031	CHEMBL208485	COc1c(ccc2occc12)C3=NOC(C3)c4ccccc4	227000	nM
P18031	CHEMBL205730	COC(=O)C1C(ON=C1c2ccc3occc3c2OC)c4ccccc4	199000	nM
P18031	CHEMBL204214	CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCc3cccc(O)c3	82100	nM
P18031	CHEMBL139393	OC(=O)C(=O)Nc1sc2CNCCc2c1C(=O)O	500000	nM
P18031	CHEMBL206159	CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCc3cccc(Cl)c3	101100	nM
P18031	CHEMBL374279	COc1ccc(OC)c(c1)C(=O)\C=C\c2cccc3ccccc23	213800	nM
P18031	CHEMBL217931	COc1ccc(cc1OC)C(=O)\C=C\c2ccc3ccccc3c2	1258930	nM
P18031	CHEMBL191206	CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(OCC(=O)O)cc1)NC(=O)[C@H](CCC(=O)OCc2ccccc2)NC(=O)CCc3c[nH]c4ccccc34)C(=O)N	100000	nM
P18031	CHEMBL304307	CSc1[nH]nc(NC(=O)c2ccc(Cl)c(Cl)c2)c1S(=O)(=O)c3ccc(Cl)cc3	63900	nM
P18031	CHEMBL141207	COc1c(\C=C\C(=O)c2ccc(O)cc2)ccc(O)c1CC=C(C)C	57000	nM
P18031	CHEMBL182653	COc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1	60000	nM
P18031	CHEMBL381701	CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCc3cc(NS(=O)(=O)C)cc(c3)C(F)(F)F	183700	nM
P18031	CHEMBL177880	OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O	310000	nM
P18031	CHEMBL99972	OC(=O)COc1ccc2cc(ccc2c1)C(=O)O	9400000	nM
P18031	CHEMBL458814	CC1(C)Oc2c(O)cc(cc2CC1O)[C@@H]3CC(=O)c4ccc(O)cc4O3	60000	nM
P18031	CHEMBL516331	CC1(C)Oc2c(O)cc(cc2C[C@@H]1O)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3	60000	nM
P18031	CHEMBL392380	OC(=O)COc1ccc(\C=C\2/SC(=O)N(Cc3ccc(cc3)C(=O)O)C2=O)cc1	85000	nM
P18031	CHEMBL236214	OC(=O)COc1c(O)cc(cc1O)c2ccccc2	1000000	nM
P18031	CHEMBL100267	COc1ccc2cc(ccc2c1C(=O)O)C(=O)O	20000000	nM
P18031	CHEMBL99971	OC(=O)c1ccc2c(C(=O)O)c(O)ccc2c1	12000000	nM
P18031	CHEMBL491515	CC(=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O)C	58700	nM
P18031	CHEMBL502257	OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+](=O)[O-])\c2c1	96700	nM
P18031	CHEMBL1617285	NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c4ccccc4)S(=O)(=O)O)C3=O)C(=O)O)cc1	190000	nM
P18031	CHEMBL506929	CC(=CCc1cc2C(=O)C=C(Oc2cc1O)c3ccc(O)cc3)C	54500	nM
P18031	CHEMBL95978	NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc2c(C(=O)O)c(OCC(=O)O)ccc2c1	3800000	nM
P18031	CHEMBL118312	O=I(=O)c1ccc(cc1)I(=O)=O	1410000	nM
P18031	CHEMBL561971	CC1(C)Oc2cc3oc(cc3cc2C[C@H]1O)c4cc(O)cc(O)c4	80000	nM
P18031	CHEMBL396633	OC(=O)COc1c(O)cccc1OCc2ccccc2	1000000	nM
P18031	CHEMBL205879	CC(C)(C)OC(=O)N1Cc2cc(NS(=O)(=O)O)ccc2C[C@H]1C(=O)NCc3ccccc3	120200	nM
P18031	CHEMBL377439	COc1ccc(cc1)C2CC(=NO2)c3cc(OC)c4occc4c3OC	81000	nM
P18031	CHEMBL1162230	OS(=O)(=O)C(F)(F)c1ccc2ccccc2c1	175000	nM
P18031	CHEMBL368082	[Na+].[Na+].[Na+].[Na+].Oc1cc(c2ccccc2c1N=Nc3c(O)c(cc4cc(cc(c34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]	460000	nM
P18031	CHEMBL118424	[O-][N+](=O)c1ccc(cc1)I(=O)=O	130000	nM
P18031	CHEMBL118788	OP1(=O)Oc2ccccc2I(=O)(O)O1	350000	nM
P18031	CHEMBL361611	COc1ccc(Cn2nnc(CC(=O)N[C@@H](CCC(=O)OCc3ccccc3)C(=O)N[C@@H](Cc4ccc(OCC(=O)O)cc4)C(=O)C[C@@H](CC(C)C)C(=O)N)n2)cc1	100000	nM
P18031	CHEMBL316894	[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]	4000000	nM
P18031	CHEMBL362378	CC1(C)Oc2ccc(C(=O)\C=C\c3ccc(O)cc3)c(O)c2C=C1	74100	nM
P18031	CHEMBL377282	N.CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C	500000	nM
P18031	CHEMBL381918	N.CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCc3ccccc3	64400	nM
P18031	CHEMBL381809	N.CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)COc3ccccc3	95300	nM
P18031	CHEMBL382885	N.CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)OC(C)(C)C	134800	nM
P18031	CHEMBL379696	N.CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCOc3ccccc3	83600	nM
P18031	CHEMBL95308	OC(=O)c1cc(O)cc(O)c1	100000	nM
P18031	CHEMBL176350	[Na+].Oc1ccc(cc1C(=O)[O-])N=Nc2ccc(cc2)[N+](=O)[O-]	210000	nM
P18031	CHEMBL190801	O=C1CN(c2ccccc2)S(=O)(=O)N1	1608000	nM
P18031	CHEMBL427021	N.CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)c3ccccc3	285700	nM
P18031	CHEMBL319726	[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)[O-]	4000000	nM
P18031	CHEMBL441861	COc1ccc(OC)c(c1)C(=O)\C=C\c2ccc3ccccc3c2	144540	nM
P18031	CHEMBL252642	Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2	60000	nM
P18031	CHEMBL252642	Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2	100000	nM
P18031	CHEMBL502014	OC(=O)c1cccc(N\N=C\2/C(=O)Nc3ccc(cc23)S(=O)(=O)NCc4ccc(F)c(Cl)c4)c1	54900	nM
P18031	CHEMBL365312	CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(OCC(=O)O)cc1)NC(=O)[C@H](CCC(=O)OCc2ccccc2)NC(=O)CN3C=C(C)C(=O)NC3=O)C(=O)N	100000	nM
P18031	CHEMBL190970	Cc1ccccc1N2CC(=O)NS2(=O)=O	203000	nM
P18031	CHEMBL427374	CC(C)C[C@H](NC(=O)c1ccc2c(cc(C(=O)O)n2c1)C#N)C(=O)NC(CC(=O)O)c3ccccc3	100000	nM
P18031	CHEMBL202890	CC(C)(C)OC(=O)N1Cc2cc(NS(=O)(=O)O)ccc2C[C@H]1CO	500000	nM
P18031	CHEMBL441687	CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(=O)O	100000	nM
P18031	CHEMBL229617	CC1(C)Oc2c(O)cc(cc2C=C1)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3	60000	nM
P18031	CHEMBL373105	CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)[C@H]3CC(=O)NS3(=O)=O)C(=O)N	15995580.29	nM
P18031	CHEMBL196526	CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N	1749846.69	nM
P18031	CHEMBL190373	CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(OCC(=O)O)cc1)NC(=O)[C@H](CCC(=O)OCc2ccccc2)NC(=O)CCCc3c[nH]c4ccccc34)C(=O)N	100000	nM
P18031	CHEMBL382311	CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N	179887.09	nM
P18031	CHEMBL382311	CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N	100000	nM
P18031	CHEMBL120421	O=I(=O)c1c[nH]cn1	1050000	nM
P18031	CHEMBL119986	CC(C)(C)OOI1OC(=O)c2ccccc12	230000	nM
P18031	CHEMBL118857	OI1(=O)OC(=O)c2ccccc12	1160000	nM
P18031	CHEMBL119805	OC(=O)c1ccc(cc1)I(=O)=O	200000	nM
P18031	CHEMBL118998	[O-][N+](=O)c1cccc(c1)I(=O)=O	1140000	nM
P18031	CHEMBL446483	NS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+](=O)[O-])\c2c1	156600	nM
P18031	CHEMBL200830	CCOC(=O)c1cc(C#N)c2cccc(O[C@@H](CC(C)C)C(=O)NC(CC(=O)O)c3ccccc3)n12	100000	nM
P18031	CHEMBL372159	CC(C)C[C@H](Oc1cccc2c(cc(C(=O)c3ccccc3)n12)C#N)C(=O)NC(CC(=O)O)c4ccccc4	85100	nM
P18031	CHEMBL229170	CC1(C)Oc2ccc(cc2C=C1)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3	60000	nM
P18031	CHEMBL438069	CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCc3ccc(OC)cc3	242000	nM
P18031	CHEMBL208486	COc1ccc(cc1)C2CC(=NO2)c3ccc4occc4c3OC	81000	nM
P18031	CHEMBL208486	COc1ccc(cc1)C2CC(=NO2)c3ccc4occc4c3OC	150000	nM
P18031	CHEMBL445815	COc1cc(OC)c2C(=O)C(=COc2c1)c3ccc(O)cc3	60000	nM
P18031	CHEMBL458360	CC1(C)Oc2c(C=C1)cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c5C=CC(C)(C)Oc25	60000	nM
P18031	CHEMBL332161	OC(=O)c1cccc(c1)I(=O)=O	890000	nM
P18031	CHEMBL382583	CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)COc3cccc(O)c3C(=O)OC	93400	nM
P18031	CHEMBL98615	OC(=O)c1ccc2ccc(cc2c1)C(=O)O	3200000	nM
P18031	CHEMBL205924	CC(C)(O)C1Cc2cc3cc(oc3cc2O1)c4cc(O)cc(O)c4	80000	nM
P18031	CHEMBL1461	OC(=O)c1cc(O)ccc1O	100000	nM
P18031	CHEMBL487051	Oc1ccccc1C(=O)\C=C\c2cccc3ccccc23	158490	nM
P18031	CHEMBL455469	[O-][N+](=O)c1cccc(c1)C(=O)\C=C\c2ccc3OCOc3c2	107000	nM
P18031	CHEMBL456655	CC1(C)C2C(O)C(O)C(O)OC2=C(O)C(=C1C3CC(=O)c4ccccc4O3)O	60000	nM
P18031	CHEMBL95668	[Na+].[Na+].[O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-]	28000000	nM
P18031	CHEMBL330395	CS(=O)(=O)Nc1cccc2cc(ccc12)S(=O)(=O)O	29000000	nM
P18031	CHEMBL236007	OC(=O)COc1c(O)cccc1OCc2ccc(cc2)C(F)(F)F	1000000	nM
P18031	CHEMBL1223642	COc1c(CC=C(C)C)c(O)cc2OC(=O)C(=Cc12)c3ccc(O)cc3O	183900	nM
P18031	CHEMBL119071	Cc1ccc(cc1)I(=O)=O	1510000	nM
P18031	CHEMBL98930	COC(=O)c1ccc2c(C(=O)O)c(OC)ccc2c1	2800000	nM
P18031	CHEMBL325174	O=I(=O)c1ccccc1	2650000	nM
P18031	CHEMBL177756	OC(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24	600000	nM
P18031	CHEMBL129795	Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1	60000	nM
P18031	CHEMBL190833	COc1ccccc1N2CC(=O)NS2(=O)=O	138000	nM
P18031	CHEMBL498474	OC(=O)c1cccc(N\N=C\2/C(=O)Nc3ccc(cc23)S(=O)(=O)NCc4ccc(Cl)c(c4)C(F)(F)F)c1	63100	nM
P18031	CHEMBL236009	OC(=O)COc1c(O)cc(Br)cc1OCc2ccc(cc2)C(F)(F)F	73000	nM
P18031	CHEMBL469824	COc1ccc(cc1O)C2=COc3cc(O)c(OC)cc3C2=O	70000	nM
P18031	CHEMBL205411	CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCc3ccc(C)cc3	198000	nM
P18031	CHEMBL206350	CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCc3cccc(c3)C(F)(F)F	146000	nM
P18031	CHEMBL458937	CC1(CO)Oc2c(O)cc(cc2C=C1)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3	60000	nM
P18031	CHEMBL193691	CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C3=CC(=O)NS3(=O)=O)C(=O)N	2999162.52	nM
P18031	CHEMBL320848	OC(=O)c1ccc2cc(OC(F)(F)C(=O)O)ccc2c1	9400000	nM
P18031	CHEMBL116656	CC(=O)OI1(OC(=O)C)(OC(=O)C)OC(=O)c2ccccc12	130000	nM
P18031	CHEMBL65369	OC(=O)c1cccc(O)c1	100000	nM
P18031	CHEMBL396634	OC(=O)COc1c(O)cc(cc1OCc2ccccc2)c3ccccc3	93000	nM
P18031	CHEMBL458815	CC1(C)Oc2c(O)cc(cc2C(O)C1O)[C@@H]3CC(=O)c4ccc(O)cc4O3	60000	nM
P18031	CHEMBL480477	CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c4ccc(O)cc4O	73400	nM
P18031	CHEMBL200475	CC(C)CC(C(=O)NC(CC(=O)O)c1ccccc1)c2ccc(OCc3cccc4c(cc(C(=O)c5ccccc5)n34)C#N)cc2	80600	nM
P18031	CHEMBL377360	CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3c[nH]c4ccccc34)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)O	100000	nM
P18031	CHEMBL439324	CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)c3ccccc3NC(=O)N)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)O	100000	nM
P18031	CHEMBL191219	O=C1CN(c2cccc(c2)c3ccccc3)S(=O)(=O)N1	132000	nM
P18031	CHEMBL256340	CC(=CCc1cc(ccc1O)[C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)C	62400	nM
P18031	CHEMBL99236	[K+].[K+].[O-]C(=O)c1ccc2cc(ccc2c1)C(=O)[O-]	4000000	nM
P18031	CHEMBL454077	CC(=CCc1cc(cc2C=CC(C)(C)Oc12)[C@@H]3CC(=O)c4ccc(O)cc4O3)C	72900	nM
P18031	CHEMBL1811969	COc1cc(ccc1O)[C@@H]2CC(=O)c3ccc(O)cc3O2	98100	nM
P18031	CHEMBL1814100	[O-][N+](=O)c1ccc(\C=N\NS(=O)(=O)c2ccc(cc2)N3C(=O)C4C5OC(C=C5)C4C3=O)cc1	245000	nM
P18031	CHEMBL1811966	Oc1ccc2C(=O)C[C@H](Oc2c1)c3ccc(O)c(C=O)c3	100000	nM
P18031	CHEMBL202640	N.CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCC(=O)O	153500	nM
P18031	CHEMBL203882	N.CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCCc3ccccc3	271200	nM
P18031	CHEMBL205565	N.CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)NCc3ccccc3	164000	nM
P18031	CHEMBL206276	N.CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCCCc3ccccc3	148000	nM
P18031	CHEMBL1795944	CO[C@H]1O[C@H](Cn2cc(COC[C@H](NC(=O)OC(C)(C)C)C(=O)O)nn2)[C@@H](OCc3ccccc3)[C@H](OCc4ccccc4)[C@H]1OCc5ccccc5	67800	nM
P18031	CHEMBL1822603	CO[C@H]1O[C@H](COCc2cn(CCCCOc3cccc(c3)C(=O)O)nn2)[C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c5ccccc5)[C@H]1OC(=O)c6ccccc6	60100	nM
P18031	CHEMBL1811970	CC1(C)Oc2ccc(cc2CC1O)[C@@H]3CC(=O)c4ccc(O)cc4O3	100000	nM
P18031	CHEMBL1795952	CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O	120000	nM
P18031	CHEMBL1822602	CO[C@H]1O[C@H](COCc2cn(CCCOc3cccc(c3)C(=O)O)nn2)[C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c5ccccc5)[C@H]1OC(=O)c6ccccc6	64600	nM
P18031	CHEMBL1946249	[Na+].CCOP(=O)(O)C(N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c2ccccc2O	334000	nM
P18031	CHEMBL1946251	[Na+].CCOP(=O)(O)C(N[C@@H](CS)C(=O)[O-])c1ccccc1O	10000000	nM
P18031	CHEMBL1946383	[Na+].CCOP(=O)(O)C(N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c2ccccc2O	10000000	nM
P18031	CHEMBL1946386	CCOP(=O)(O)C(NCCNC(c1ccccc1O)P(=O)(O)OCC)c2ccccc2O	10000000	nM
P18031	CHEMBL1946246	CCOP(=O)(OCC)[C@H](Nc1ccccc1Cl)c2ccccc2O	137000	nM
P18031	CHEMBL1946250	[Na+].CCOP(=O)(O)C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c3ccccc3O	10000000	nM
P18031	CHEMBL1945186	COc1ccc(C(=O)\C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1	263000	nM
P18031	CHEMBL1946244	CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c2ccccc2O	91700	nM
P18031	CHEMBL1946281	Clc1ccc(s1)C(=O)\C=C\c2ccc3ccccc3c2	100000	nM
P18031	CHEMBL1946248	[Na+].CCOP(=O)(O)C(N[C@@H](CO)C(=O)[O-])c1ccccc1O	135000	nM
P18031	CHEMBL1946385	CCOP(=O)(O)C(NCCCNC(c1ccccc1O)P(=O)(O)OCC)c2ccccc2O	10000000	nM
P18031	CHEMBL1946389	[Na+].CCOP(=O)(O)C(N[C@@H]([C@@H](C)O)C(=O)[O-])c1ccccc1O	10000000	nM
P18031	CHEMBL1946252	[Na+].CCOP(=O)(O)C(N[C@@H](Cc1ccccc1)C(=O)[O-])c2ccccc2O	10000000	nM
P18031	CHEMBL1946384	CCOP(=O)(O)C(NCCCCCCNC(c1ccccc1O)P(=O)(O)OCC)c2ccccc2O	10000000	nM
P18031	CHEMBL1946243	CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1)c2ccccc2O	373000	nM
P18031	CHEMBL1946245	CCOP(=O)(OCC)[C@H](Nc1ccc(cc1)[N+](=O)[O-])c2ccccc2O	217000	nM
P18031	CHEMBL1946387	[Na+].CCOP(=O)(O)C(NCC(=O)[O-])c1ccccc1O	10000000	nM
P18031	CHEMBL1946388	[Na+].CCOP(=O)(O)C(N[C@@H](C)C(=O)[O-])c1ccccc1O	10000000	nM
P18031	CHEMBL1946998	OC(=O)c1ccc(\C=C\C(=O)c2ccc3ccccc3c2)cc1	3090000	nM
P18031	CHEMBL1882430	COc1ccc(cc1)c2oc(Nc3nc4c(F)cccc4s3)nn2	100000	nM
P18031	CHEMBL2087672	CCCCOS(=O)(=O)\C=C\c1ccc(OCc2ccccc2)cc1OCCc3nc(oc3C)c4ccccc4	100000	nM
P18031	CHEMBL2087673	CCOS(=O)(=O)\C=C\c1ccc(OCc2ccccc2)cc1OCCc3nc(sc3C)c4ccccc4	100000	nM
P18031	CHEMBL2087379	CCCCOS(=O)(=O)\C=C\c1ccc(OCCc2csc(n2)c3ccccc3)cc1	100000	nM
P18031	CHEMBL2062591	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2cccc(C)c2	100000	nM
P18031	CHEMBL2062595	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2cccc(OC)c2	100000	nM
P18031	CHEMBL2062713	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccccc2OC	100000	nM
P18031	CHEMBL2087377	CCOS(=O)(=O)\C=C\c1ccc(OCCc2nc(oc2C)c3ccccc3)cc1	100000	nM
P18031	CHEMBL2087679	CCOS(=O)(=O)\C=C\c1ccc(OCCNc2nc(cs2)c3ccccc3)cc1	100000	nM
P18031	CHEMBL2087677	CCOS(=O)(=O)\C=C\c1ccc(OCc2cc(on2)c3ccccc3)cc1	100000	nM
P18031	CHEMBL2087381	CCOS(=O)(=O)\C=C\c1ccc(OCc2ccccc2)cc1OCCc3nc(oc3C)c4ccccc4	100000	nM
P18031	CHEMBL2087675	CCOS(=O)(=O)\C=C\Cc1nc(sc1C)c2ccccc2	100000	nM
P18031	CHEMBL2087676	CCOS(=O)(=O)\C=C\Cc1oc2cc(OCCc3nc(oc3C)c4ccccc4)ccc2c1	84600	nM
P18031	CHEMBL2087378	CCCCOS(=O)(=O)\C=C\c1ccc(OCCc2nc(oc2C)c3ccccc3)cc1	100000	nM
P18031	CHEMBL2062592	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2cccc(Cl)c2	100000	nM
P18031	CHEMBL2062707	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccc(O)cc2	68100	nM
P18031	CHEMBL2062708	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccc(OC)cc2	100000	nM
P18031	CHEMBL2062714	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccccc2N(C)C	100000	nM
P18031	CHEMBL2062712	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccccc2O	100000	nM
P18031	CHEMBL2062593	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2cccc(F)c2	83700	nM
P18031	CHEMBL2062596	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2cccc(c2)N(C)C	100000	nM
P18031	CHEMBL2062709	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccc(cc2)N(C)C	100000	nM
P18031	CHEMBL2062528	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccccc2C	100000	nM
P18031	CHEMBL2062710	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccccc2Cl	100000	nM
P18031	CHEMBL2062711	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccccc2F	100000	nM
P18031	CHEMBL2062590	CCCCCCCCCCCCCCC\C(=C/1\C(=O)OC(CO)C1=O)\NCc2ccccc2	100000	nM
P18031	CHEMBL2062597	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccc(C)cc2	100000	nM
P18031	CHEMBL2062599	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccc(F)cc2	100000	nM
P18031	CHEMBL2062594	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2cccc(O)c2	100000	nM
P18031	CHEMBL2062598	CCCCCCCCCCCCCCCC(=C1C(=O)OC(CO)C1=O)NCc2ccc(Cl)cc2	100000	nM
P18031	CHEMBL2316898	OC(=O)c1cc2c(CCc3cccc(F)c3)c(oc2cc1O)c4ccccc4	60000	nM
P18031	CHEMBL2316900	OCC#Cc1c(oc2cc(O)c(cc12)C(=O)O)c3ccccc3	100000	nM
P18031	CHEMBL2419087	O=C(OC1CSSC1)c2cocc2	78190	nM
P18031	CHEMBL2296752	CCCCCNC(=O)[C@H](Cc1ccc(cc1)[C@H]2CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc4ccc(OC)cc4	14996848.36	nM
P18031	CHEMBL2297013	CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C3CC(=O)NS3(=O)=O)C(=O)N	660693.45	nM
P18031	CHEMBL2297020	NC(=O)[C@H](Cc1ccc(cc1)C2=CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc4ccccc4	1000000	nM
P18031	CHEMBL2296750	CCCCCNC(=O)[C@H](Cc1ccc(cc1)C2=CS(=O)(=O)NC2=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc4ccc(OC)cc4	5997910.76	nM
P18031	CHEMBL2437370	COc1c(\C=C\C(=O)c2ccc(O)c(O)c2)ccc(O)c1CC=C(C)C	59500	nM
P18031	CHEMBL2297014	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C3CC(=O)NS3(=O)=O)C(=O)N	100000000	nM
P18031	CHEMBL2297011	NC(=O)[C@H](Cc1ccc(cc1)C2CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc4ccccc4	179887.09	nM
P18031	CHEMBL2437377	CC(=CCc1c(O)ccc2C(=O)C[C@H](Oc12)c3ccc4OC(C)(C)C(O)Cc4c3)C	52200	nM
P18031	CHEMBL2297008	NC(=O)[C@H](Cc1ccc(cc1)C2CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc4ccc(cc4)C(F)(F)F	169824.37	nM
P18031	CHEMBL2437363	CC(=CCc1cc(C[C@@H](O)C(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O)C	90500	nM
P18031	CHEMBL2259730	COc1ccc(C2=NOC(C2)n3ccnc3)c(OC)c1	88000	nM
P18031	CHEMBL2259743	COc1ccc(C2=NOC(C2)c3ccncc3)c(OC)c1	275000	nM
P18031	CHEMBL2297016	COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)C4=CC(=O)NS4(=O)=O)C(=O)N)cc1	1599558.03	nM
P18031	CHEMBL2297015	NC(=O)[C@H](Cc1ccc(cc1)C2=CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCc4ccccc4	2697739.43	nM
P18031	CHEMBL2296753	CCCCCNC(=O)[C@H](Cc1ccc(cc1)C2=CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc4ccc(OC)cc4	1199499.3	nM
P18031	CHEMBL2297010	NC(=O)[C@H](Cc1ccc(cc1)C2CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc4ccc(O)cc4	169824.37	nM
P18031	CHEMBL2297012	NC(=O)[C@H](Cc1ccc(cc1)C2CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)c4ccccc4	149968.48	nM
P18031	CHEMBL2297018	NC(=O)[C@H](Cc1ccc(cc1)C2=CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)c4ccccc4	1798870.92	nM
P18031	CHEMBL2259731	COC(=O)C1C(ON=C1c2ccc(OC)cc2OC)c3ccccc3	165000	nM
P18031	CHEMBL2259739	COc1c2C=CC(C)(C)Oc2ccc1C3=NOC(C3)c4ccccn4	87000	nM
P18031	CHEMBL2297004	CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C2CC(=O)NS2(=O)=O)C(=O)N	69984199.6	nM
P18031	CHEMBL2295854	NC(=O)[C@H](Cc1ccc(cc1)C2=CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc4ccc(cc4)C(F)(F)F	1399587.32	nM
P18031	CHEMBL2297019	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C3=CC(=O)NS3(=O)=O)C(=O)N	100000000	nM
P18031	CHEMBL2297017	NC(=O)[C@H](Cc1ccc(cc1)C2=CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc4ccc(O)cc4	790678.63	nM
P18031	CHEMBL2297009	COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)C4CC(=O)NS4(=O)=O)C(=O)N)cc1	169824.37	nM
P18031	CHEMBL2259740	COc1ccc(C2=NOC(C2)c3ccccc3)c(OC)c1	69000	nM
P18031	CHEMBL2296751	CCCCCNC(=O)[C@H](Cc1ccc(cc1)N2CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc4ccc(OC)cc4	1499684.84	nM
P18031	CHEMBL2297005	CC(=O)N[C@@H](Cc1ccc(cc1)C2CC(=O)NS2(=O)=O)C(=O)N	100000000	nM
P18031	CHEMBL2297006	N[C@@H](Cc1ccc(cc1)C2CC(=O)NS2(=O)=O)C(=O)N	100000000	nM
P18031	CHEMBL2297007	NC(=O)[C@H](Cc1ccc(cc1)C2CC(=O)NS2(=O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCc4ccccc4	339625.27	nM
P18031	CHEMBL2259738	COc1ccc(cc1)C2CC(=NO2)c3ccc4OC(C)(C)C=Cc4c3OC	91000	nM
P18031	CHEMBL2259737	COc1c2C=CC(C)(C)Oc2ccc1C3=NOC(C3)c4ccccc4	70000	nM
P18031	CHEMBL2259742	COc1ccc(C2=NOC(C2)c3ccccn3)c(OC)c1	485000	nM
P18031	CHEMBL2259735	CC(=O)Oc1ccc(C2=NOC(C2)c3ccccc3)c(OC(=O)C)c1	62700	nM
P18031	CHEMBL2259741	COc1ccc(cc1)C2CC(=NO2)c3ccc(OC)cc3OC	67000	nM
P18031	CHEMBL3220995	CC12OC(C=C1)[C@H]3[C@@H]2C(=O)N(C3=O)c4ccc(cc4)S(=O)(=O)N\N=C\c5ccc(Br)cc5	88000	nM
P18031	CHEMBL3360906	Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N5C(=O)c6ccccc6C5=O)s2)c1	100000	nM
P18031	CHEMBL3356397	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(=C\COC(=O)C)\C	50020	nM
P18031	CHEMBL3360908	CCN1C(=O)N\C(=C\c2ccc(OCc3ccc(cc3)C(=O)O)c(I)c2)\C1=O	63800	nM
P18031	CHEMBL3357363	Nc1ccc(cc1)c2cccc(c2)c3noc(Cc4c[nH]c5ccccc45)n3	120000	nM
P18031	CHEMBL3427134	CC(C)C(=O)C1=C(O)OC(C)(C)OC1=O	72700	nM
P18031	CHEMBL3427135	CCCC(=O)C1=C(O)OC(C)(C)OC1=O	100000	nM
P18031	CHEMBL3596431	OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O	65000	nM
P18031	CHEMBL3427136	CC(=O)C1=C(O)OC(C)(C)OC1=O	100000	nM
P18031	CHEMBL3357362	Nc1ccc(cc1)c2ccc(s2)c3noc(Cc4c[nH]c5ccccc45)n3	120000	nM
P18031	CHEMBL3144822	CC1=C(N=Nc2c(O)cc(c3ccccc23)S(=O)(=O)O)C(=O)N(N1)c4ccccc4	150000	nM
P18031	CHEMBL3627729	OC(=O)c1ccc(CN2C(=O)N(Cc3ccccc3)\C(=C\c4ccc(OCc5ccccc5)cc4)\C2=O)cc1	96000	nM
P18031	CHEMBL3628547	OC(=O)c1ccc(CN2C(=O)N(Cc3ccccc3)\C(=C\c4ccc(O)cc4)\C2=O)cc1	104000	nM
P18031	CHEMBL3628549	COC(=O)COC(=O)CN1C(=O)N(Cc2ccccc2)\C(=C\c3ccc(OCC(=O)OC)cc3)\C1=O	101000	nM
P18031	CHEMBL3628482	COC(=O)COc1ccc(\C=C/2\N(Cc3ccccc3)C(=O)N(CC(=O)OC)C2=O)cc1	114000	nM
P18031	CHEMBL3628483	COC(=O)CN1C(=O)N(Cc2ccccc2)\C(=C\c3ccc(OCc4ccccc4)cc3)\C1=O	110000	nM
P18031	CHEMBL3628541	OC(=O)CN1C(=O)N(Cc2ccccc2)\C(=C\c3ccc(OCc4ccc(cc4)C(=O)O)cc3)\C1=O	103000	nM
P18031	CHEMBL3628542	OC(=O)COc1ccc(\C=C/2\N(Cc3ccccc3)C(=O)N(CC(=O)O)C2=O)cc1	122000	nM
P18031	CHEMBL3628543	OC(=O)CN1C(=O)N(Cc2ccccc2)\C(=C\c3ccc(OCc4ccccc4)cc3)\C1=O	113000	nM
P18031	CHEMBL3628544	OC(=O)c1ccc(COc2ccc(\C=C/3\N(Cc4ccccc4)C(=O)N(Cc5ccc(cc5)C(=O)O)C3=O)cc2)cc1	89000	nM
P18031	CHEMBL3628545	OC(=O)COc1ccc(\C=C/2\N(Cc3ccccc3)C(=O)N(Cc4ccc(cc4)C(=O)O)C2=O)cc1	103000	nM
P18031	CHEMBL3628472	CCOC(=O)COc1ccc(\C=C/2\NC(=O)NC2=O)cc1	172000	nM
P18031	CHEMBL3628473	O=C(COc1ccc(\C=C/2\NC(=O)NC2=O)cc1)c3ccccc3	155000	nM
P18031	CHEMBL3628476	Clc1ccc(COc2ccc(\C=C/3\NC(=O)NC3=O)cc2)cc1	122000	nM
P18031	CHEMBL3628479	COC(=O)CN1C(=O)N(Cc2ccccc2)\C(=C\c3ccc(O)cc3)\C1=O	136000	nM
P18031	CHEMBL3628471	O=C1NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)\N1	170000	nM
P18031	CHEMBL3628466	CCOC(=O)COc1ccc(\C=C/2\N(CC(=O)OCC)C(=O)NC2=O)cc1	133000	nM
P18031	CHEMBL3628546	OC(=O)CN1C(=O)N(Cc2ccccc2)\C(=C\c3ccc(O)cc3)\C1=O	142000	nM
P18031	CHEMBL3759431	Brc1cccc(n1)c2noc(Cc3c[nH]c4ccccc34)n2	120000	nM
P18031	CHEMBL3759157	Cc1cccc(c1)c2ccc(s2)c3noc(Cc4c[nH]c5ccccc45)n3	120000	nM
P18031	CHEMBL3758785	COC(=O)CCCOc1ccc(cc1)c2ccc(s2)c3noc(Cc4c[nH]c5ccccc45)n3	120000	nM
P18031	CHEMBL3760020	CCCc1ccc(cc1)c2cccc(c2)c3noc(Cc4c[nH]c5ccccc45)n3	120000	nM
P18031	CHEMBL3760059	COC(=O)CCCOc1ccc(cc1)c2cccc(c2)c3noc(Cc4c[nH]c5ccccc45)n3	120000	nM
P18031	CHEMBL3758876	Oc1ccc(cc1)c2cccc(n2)c3noc(Cc4c[nH]c5ccccc45)n3	120000	nM
P29476	CHEMBL90963	Cc1cccc(SCCC[C@H](N)C(=O)O)c1	100000	nM
P29476	CHEMBL456579	Brc1n[nH]c2c(I)cccc12	750000	nM
P29476	CHEMBL1099169	N[C@@H](CCCn1ccnc1N)C(=O)O	135000	nM
P29476	CHEMBL463676	Nc1cccc2cn[nH]c12	850000	nM
P29476	CHEMBL473471	OC(=O)c1cccc2cn[nH]c12	1000000	nM
P29476	CHEMBL276725	Oc1n[nH]c2ccccc12	1000000	nM
P29476	CHEMBL247366	Fc1ccc2cn[nH]c2c1	100000	nM
P29476	CHEMBL15739	COc1ccc2[nH]ncc2c1	100000	nM
P29476	CHEMBL15932	COc1cccc2[nH]ncc12	100000	nM
P29476	CHEMBL16076	Fc1ccc2[nH]ncc2c1	100000	nM
P29476	CHEMBL16076	Fc1ccc2[nH]ncc2c1	100000	nM
P29476	CHEMBL246746	Clc1ccc2[nH]ncc2c1	59300	nM
P29476	CHEMBL504883	Cn1nc(Br)c2cccc(c12)[N+](=O)[O-]	500000	nM
P29476	CHEMBL238560	N[C@@H](CCCNC(=N)N[N+](=O)[O-])C[C@@H](O)CCCO	255000	nM
P29476	CHEMBL442252	N[C@@H](CCCNC(=N)N[N+](=O)[O-])C[C@H](O)CCO	168000	nM
P29476	CHEMBL484297	FC(F)(F)S(=O)(=O)Oc1cccc2cn[nH]c12	500000000	nM
P29476	CHEMBL451401	NC(=O)c1cccc2cn[nH]c12	55000	nM
P29476	CHEMBL314426	N[C@@H](CCCNc1c(Cl)cccc1[N+](=O)[O-])C(=O)O	100000	nM
P29476	CHEMBL278175	Oc1cccc2cn[nH]c12	700000	nM
P29476	CHEMBL278175	Oc1cccc2cn[nH]c12	100000	nM
P29476	CHEMBL291627	Nc1ncc[nH]1	65000	nM
P29476	CHEMBL499583	c1cc(c2nnn[nH]2)c3[nH]ncc3c1	1000000	nM
P29476	CHEMBL1099171	N[C@@H](CCCNc1ncc[nH]1)C(=O)O	65000	nM
P29476	CHEMBL274984	CCOc1cccc2c[nH]nc12	100000	nM
P29476	CHEMBL88309	Cc1cccc(NCCC[C@H](N)C(=O)O)c1	100000	nM
P29476	CHEMBL536056	Cl.C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn3ccnc3)O1	362000	nM
P29476	CHEMBL1269106	Cl.CC(=N)NCc1ccc2OCOc2c1	400000	nM
P29476	CHEMBL384300	N[C@@H](CCC\N=C(/N)\N[N+](=O)[O-])C(=O)N[C@@H]1CCN[C@@H]1C(=O)N.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL541899	Cl.Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1	182000	nM
P29476	CHEMBL216770	CN1C[C@@H](C[C@H]1C(=O)N)NC(=O)[C@@H](N)CCC\N=C(/N)\N[N+](=O)[O-].OC(=O)C(F)(F)F	73500	nM
P29476	CHEMBL535613	Cl.C[C@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn3ccnc3)O1	773000	nM
P29476	CHEMBL448703	Br.C[C@H](NC(=N)C)c1ccccc1	150000	nM
P29476	CHEMBL563369	CC1=CC2=NCC(CN2C(=C1)C)C(=O)c3ccc4cc(C)ccc4c3.OCl(=O)(=O)=O	60000	nM
P29476	CHEMBL535614	Cl.C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn3ccnc3)O1	500000	nM
P29476	CHEMBL1162881	Cl.COc1ccc(cc1)c2ccc(cc2)C(=O)C3CN=C4C=C(C)C=CN4C3	87000	nM
P29476	CHEMBL1162876	Cl.CC1=CC2=NCC(CN2C=C1)C(=O)c3ccc(cc3)c4ccc(cc4)C#N	128000	nM
P29476	CHEMBL1169416	NC(=O)[C@H](CCC\N=C(/N)\N[N+](=O)[O-])CC(=O)[C@H]1C[C@@H](CN1)N=[N+]=[N-].OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL1169429	N[C@H]1CN[C@H](C1)C(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL1169429	N[C@H]1CN[C@H](C1)C(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL1169430	N[C@H]1CN[C@H](C1)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL1169430	N[C@H]1CN[C@H](C1)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL1169423	NC(=O)[C@@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)[C@H]1C[C@H](CN1)N=[N+]=[N-].OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL1169433	N[C@@H]1CN[C@H](C1)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL1169433	N[C@@H]1CN[C@H](C1)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL392263	Fc1cccc2[nH]ncc12	100000	nM
P29476	CHEMBL510692	OC(=O)c1cccc2c(Br)n[nH]c12	1000000	nM
P29476	CHEMBL313526	Cc1ccc(c(NCC[C@H](N)C(=O)O)c1)[N+](=O)[O-]	100000	nM
P29476	CHEMBL91734	N[C@@H](CCCNc1cc(O)ccc1[N+](=O)[O-])C(=O)O	100000	nM
P29476	CHEMBL354723	Cn1ncc2cccc(c12)[N+](=O)[O-]	700000	nM
P29476	CHEMBL510569	Ic1cccc2cn[nH]c12	200000	nM
P29476	CHEMBL238775	N[C@@H](CCCNC(=N)N[N+](=O)[O-])C[C@@H](O)CCO	106000	nM
P29476	CHEMBL1099168	N[C@@H](CCc1cnc(N)[nH]1)C(=O)O	65000	nM
P29476	CHEMBL1099170	NC(CCCc1cnc(N)[nH]1)C(=O)O	65000	nM
P29476	CHEMBL16425	Brc1ccc2[nH]ncc2c1	72000	nM
P29476	CHEMBL16425	Brc1ccc2[nH]ncc2c1	75000	nM
P29476	CHEMBL516740	c1cc(c2cnn[nH]2)c3[nH]ncc3c1	1000000	nM
P29476	CHEMBL516741	NC(=O)c1cccc2c(Br)n[nH]c12	1000000	nM
P29476	CHEMBL277798	Cc1ccc2c[nH]nc2c1	100000	nM
P29476	CHEMBL88165	Cc1ccc(c(NCCC[C@@H](N)C(=O)O)c1)[N+](=O)[O-]	70000	nM
P29476	CHEMBL452956	C#Cc1cccc2cn[nH]c12	1000000	nM
P29476	CHEMBL238772	N[C@@H](CCCNC(=N)N[N+](=O)[O-])C[C@H](O)CCCO	490000	nM
P29476	CHEMBL1099167	N[C@@H](Cc1cnc(N)[nH]1)C(=O)O	65000	nM
P29476	CHEMBL450583	Br.CCC(NC(=N)C)c1ccccc1	90000	nM
P29476	CHEMBL462334	Br.CC(=N)NCc1ccccc1	150000	nM
P29476	CHEMBL552550	Cl.C[C@@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn3ccnc3)O1	500000	nM
P29476	CHEMBL1169428	N[C@@H]1CN[C@H](C1)C(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL1169428	N[C@@H]1CN[C@H](C1)C(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
P29476	CHEMBL1956741	Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc3occc3)c1	100000	nM
P29476	CHEMBL2071545	CCn1ncc2c(cccc12)[N+](=O)[O-]	51700	nM
P29476	CHEMBL2071546	CCn1cc2c(cccc2n1)[N+](=O)[O-]	100000	nM
P29476	CHEMBL2071550	CCn1cc2c(Br)cccc2n1	100000	nM
P29476	CHEMBL2071548	Cn1cc2c(Br)cccc2n1	100000	nM
P29476	CHEMBL2071544	Cn1cc2c(cccc2n1)[N+](=O)[O-]	100000	nM
P29476	CHEMBL2071549	CCn1ncc2c(Br)cccc12	72500	nM
P29476	CHEMBL2368266	NC(=O)[C@H](CCC\N=C(/N)\N[N+](=O)[O-])NC(=O)[C@H]1C[C@H](CN1)N=[N+]=[N-].OC(=O)C(F)(F)F.OC(=O)C(F)(F)F	100000	nM
Q92731	CHEMBL1605526	O=C(COC(=O)C1CC2CC1C=C2)NCc3occc3	109200.5	nM
Q92731	CHEMBL1400764	COC(=O)c1c2CCCCc2sc1NC(=O)Cc3cccs3	103241.43	nM
Q92731	CHEMBL1384049	CC1=CC=CN2C(=O)C3=C(N=C12)N(C(=O)C(=C3)C#N)c4ccc(C)cc4	76967.01	nM
Q92731	CHEMBL1561191	COc1ccccc1C(=O)Oc2ccc3ccc(O)cc3c2	100000	nM
Q92731	CHEMBL493703	CC(C)CNc1cc(NCc2ccccc2)nc(NCC(C)C)n1	1000000	nM
Q92731	CHEMBL425231	Oc1ccc(cc1)N2C(=O)c3ccc(O)cc3N=C2c4ccc(O)cc4	440553	nM
Q92731	CHEMBL205717	Oc1ccc(cc1)N2C=Nc3cc(O)cc(C#N)c3C2=O	73677	nM
Q92731	CHEMBL290106	Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O	109200.5	nM
Q92731	CHEMBL192548	O=C(Oc1ccc2C(=CC(=O)Oc2c1)c3ccccc3)c4occc4	1000000	nM
Q92731	CHEMBL192548	O=C(Oc1ccc2C(=CC(=O)Oc2c1)c3ccccc3)c4occc4	1000000	nM
Q92731	CHEMBL1393548	C(c1cccs1)c2nn3c(nnc3s2)c4ccccc4	109200.5	nM
Q92731	CHEMBL1505049	C1CN(CCO1)C2=CCC/C/2=C\c3nc4ccccc4[nH]3	109200.5	nM
Q92731	CHEMBL427166	O=C1N=C2N(Cc3ccccc23)c4cc5ccccc5cc14	1000000	nM
Q92731	CHEMBL427166	O=C1N=C2N(Cc3ccccc23)c4cc5ccccc5cc14	1000000	nM
Q92731	CHEMBL1459655	CC(=O)Nc1nonc1c2nc3ccccc3n2N(C(=O)C)C(=O)C	109200.5	nM
Q92731	CHEMBL1569742	O=C(Cc1cccs1)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3	76967.01	nM
Q92731	CHEMBL1509057	Clc1cnc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c(Cl)c1	76967.01	nM
Q92731	CHEMBL195612	Oc1ccc2C(=O)C(=C(Oc2c1)C(F)(F)F)c3oc4ccccc4c3	1000000	nM
Q92731	CHEMBL195612	Oc1ccc2C(=O)C(=C(Oc2c1)C(F)(F)F)c3oc4ccccc4c3	1000000	nM
Q92731	CHEMBL600336	O=C(Nc1ccc(cc1)c2nc3cc(NC(=O)c4cccs4)ccc3[nH]2)c5cccs5	109200.5	nM
Q92731	CHEMBL1526851	Oc1ccc(cc1)c2nc(cs2)c3ccc(O)c(O)c3	90657.77	nM
Q92731	CHEMBL495123	Cc1nc(cs1)c2ccc(O)c(O)c2	87251.95	nM
Q92731	CHEMBL1387610	C1Oc2ccc(cc2O1)c3onc(n3)c4ccccn4	109200.5	nM
Q92731	CHEMBL1359893	COc1ccc(Cl)cc1NC(=O)c2ocnc2C	109200.5	nM
Q92731	CHEMBL1565196	Cc1ccc(cc1C(=O)Nc2nc[nH]n2)S(=O)(=O)N3CCCCC3	109200.5	nM
Q92731	CHEMBL1545787	Cl.COc1ccc(cc1)C(N)CCc2oc(C)cc2	93704.08	nM
Q92731	CHEMBL1480378	Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1	109200.5	nM
Q92731	CHEMBL1334570	COC(=O)c1sc2nc(ccc2c1N)c3occc3	106788.47	nM
Q92731	CHEMBL1477682	COc1cc(CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC	102087.24	nM
Q92731	CHEMBL1424486	Nc1nc(c2occc2)c(s1)c3occc3	101219.63	nM
Q92731	CHEMBL1573389	OC(=O)c1c2CCCc2sc1NC(=O)c3ccccc3	109200.5	nM
Q92731	CHEMBL1588434	Sc1nnc(c2cc([nH]n2)c3occc3)n1c4ccccc4Cl	109200.5	nM
Q92731	CHEMBL1310309	CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1c3ccccc3OC	93824.38	nM
Q92731	CHEMBL443831	COc1ccccc1OC2=COc3cc(O)ccc3C2=O	1000000	nM
Q92731	CHEMBL443831	COc1ccccc1OC2=COc3cc(O)ccc3C2=O	1000000	nM
Q92731	CHEMBL347927	CC(C)CCc1cc(NCC(C)C)nc(NCC(C)C)n1	1000000	nM
Q92731	CHEMBL1308226	CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCOc2ccccc2OC	109200.5	nM
Q92731	CHEMBL1375019	Oc1c2CCC(=C3CCCC3)c2nc4ccccc14	109200.5	nM
Q92731	CHEMBL1604803	O=C(CSc1nnc(SCC(=O)c2occc2)s1)c3occc3	109200.5	nM
Q92731	CHEMBL1466543	Cc1cccc(c1)C(=O)Oc2ccc3ccc(O)cc3c2	100000	nM
Q92731	CHEMBL294209	Clc1ccc(Cl)c(c1)S(=O)(=O)Nc2nccs2	78590.57	nM
Q92731	CHEMBL1604955	CCOC(=O)CN1C=Nc2sc3CCCc3c2C1=O	106128.01	nM
Q92731	CHEMBL1538696	Cc1csc(n1)C(C#N)C(=O)c2ccncc2	109200.5	nM
Q92731	CHEMBL1498999	CCCNC(=O)c1ccc(s1)c2nc3ccccc3s2	102459.88	nM
Q92731	CHEMBL1374573	O=C(CSC1=Nc2scc(c3occc3)c2C(=O)N1c4ccccc4)NCC5CCCO5	102158.48	nM
Q92731	CHEMBL1083326	CC(=CCc1c(O)c(O)cc([C@H]2CCc3ccc(O)cc3O2)c1CC=C(C)C)C	96000	nM
Q92731	CHEMBL1386982	COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC	109200.5	nM
Q92731	CHEMBL1547376	COc1cc2C(=CC(C)(C)N3C(=O)\C(=C\4/SC(=NC4=O)NC(=O)C)\c(c1)c23)C	96245.71	nM
Q92731	CHEMBL1397845	CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N4CCCCC4)cc12	76967.01	nM
Q92731	CHEMBL191905	COc1cccc(COc2ccc3C4=C(CCC4)C(=O)Oc3c2)c1	1000000	nM
Q92731	CHEMBL191905	COc1cccc(COc2ccc3C4=C(CCC4)C(=O)Oc3c2)c1	1000000	nM
Q92731	CHEMBL1539325	CC1(C)CCCN(C1)C(=O)C2=COC(=O)C(=C2)Br	93179.17	nM
Q92731	CHEMBL1467399	CC(=O)c1c(COC(=O)c2occc2)nc3ccccc3[n+]1[O-]	76967.01	nM
Q92731	CHEMBL1303477	FC(F)Oc1ccc(cc1)c2oc(SCC(=O)NC(=O)NCc3occc3)nn2	109200.5	nM
Q92731	CHEMBL1566298	Cc1onc(C)c1CSCC(=O)OCC(=O)Nc2sccc2C#N	76967.01	nM
Q92731	CHEMBL482642	Cc1nc2cc(ccc2[nH]1)C(=O)O	99498.02	nM
Q92731	CHEMBL1429596	CCOc1ccc(NC2=NC(=O)S/C/2=C\c3ccc(OC)cc3)cc1	99882.43	nM
Q92731	CHEMBL1603599	Clc1ccc(s1)S(=O)(=O)NCc2csc(n2)c3cccnc3	99442.14	nM
Q92731	CHEMBL206426	Oc1cc(O)c2C(=O)N(C=Nc2c1)c3ccc(O)nc3	51696	nM
Q92731	CHEMBL206772	COc1cc(O)c2C(=O)N(C(=S)Nc2c1)c3ccc(O)cc3	72848	nM
Q92731	CHEMBL494717	CC(C)CNc1cc(CCc2ccccc2)nc(NCC(C)C)n1	1000000	nM
Q92731	CHEMBL103	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	1000000	nM
Q92731	CHEMBL103	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	1000000	nM
Q92731	CHEMBL192877	Oc1ccc(CCC(=O)c2ccc(O)cc2O)cc1	1000000	nM
Q92731	CHEMBL192877	Oc1ccc(CCC(=O)c2ccc(O)cc2O)cc1	1000000	nM
Q92731	CHEMBL1466913	COc1ccc(NC2=NC(=O)S/C/2=C\c3ccc(cc3)N(C)C)cc1	85503.73	nM
Q92731	CHEMBL1468811	COc1cc(cc(OC)c1O)C(Nc2ccccn2)c3ccc4ccc(C)nc4c3O	109200.5	nM
Q92731	CHEMBL1406018	CCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1	109200.5	nM
Q92731	CHEMBL3213380	CCOC(=O)C1=C2N(C(=O)C(S1)c3ccccc3OC)C(=C(N)/C/2=C\c4ccccc4OC)C#N	78505.67	nM
Q92731	CHEMBL3208992	CN1C(=O)CC(S/C/1=N/c2cc(Cl)c(O)c(Cl)c2)C(=O)O	109200.5	nM
Q92731	CHEMBL3360841	Oc1ccc(cc1)[C@H]2CC(=O)N2c3ccc(O)cc3	56000	nM
Q92731	CHEMBL3421892	CC1=NOC(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c4cc(F)ccc4Cl)C(F)(F)F)cc12	100000	nM
Q92731	CHEMBL3360849	COc1cc(cc(OC)c1OC)[C@H]2[C@@H](C(=O)N2c3ccc(O)cc3)c4ccc(O)cc4	144000	nM
P36897	CHEMBL2324829	Cc1cccc(n1)n2nnc(CCCCO)c2c3ccc4nccnc4c3	50800	nM
P36897	CHEMBL3341955	COc1cc(cc(OC)c1OC)c2cc(cnc2N(C)C)c3ccc(cc3)N4CCNCC4	115000	nM
P36897	CHEMBL3341790	COc1cc(cc(OC)c1OC)c2cc(cnc2OC)c3ccc(cc3)N4CCNCC4	82000	nM
P36897	CHEMBL3341950	COc1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	95000	nM
P36897	CHEMBL3341788	COc1cc(cc(OC)c1OC)c2cc(cnc2Cl)c3ccc(cc3)N4CCNCC4	99000	nM
P36897	CHEMBL3341793	Nc1ncc(cc1c2cccc3ncccc23)c4ccc(cc4)N5CCNCC5	99000	nM
P05771	CHEMBL23254	CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c3ncn(C(C)C)c3n1	100000	nM
P05771	CHEMBL23254	CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c3ncn(C(C)C)c3n1	100000	nM
P00533	CHEMBL116012	CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN4CCOCC4	10320482.46	nM
P00533	CHEMBL327300	COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC	100000	nM
P00533	CHEMBL607707	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C	79983.43	nM
P00533	CHEMBL118000	Fc1ccc(Nc2c(cnc3ccc(NC(=O)\C=C\CN4CCOCC4)cc23)C#N)cc1Cl	2290340.22	nM
P00533	CHEMBL57712	[O-][n+]1ccc(C=C(C#N)C#N)cc1	1300000	nM
P00533	CHEMBL326280	COCC#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cc1OC)C#N	790678.63	nM
P00533	CHEMBL1095131	Nc1nc(Nc2cccc(F)c2)c3cc(Cc4ccc(Cl)cc4Cl)[nH]c3n1	161600	nM
P00533	CHEMBL594320	COc1ccccc1C(=CC2=COC3=NC(=N)NC(=C23)N)C4CC4	200000	nM
P00533	CHEMBL603849	CCC(C)C(=CC1=COC2=NC(=N)NC(=C12)N)c3ccccc3OC	200000	nM
P00533	CHEMBL1080271	CCN(CC)CCNC(=O)c1cc2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2[nH]1	77220	nM
P00533	CHEMBL1094475	Nc1nc(Nc2cccc(c2)C#C)c3cc(Cc4ccc(Cl)cc4Cl)[nH]c3n1	55200	nM
P00533	CHEMBL1098440	Clc1ccc(Cc2cc3c(Nc4cccc(c4)C#C)ncnc3[nH]2)c(Cl)c1	300000	nM
P00533	CHEMBL352591	Oc1ccc(O)c(\C=N\c2ccc(O)c(CC(=O)NOCc3ccccc3)c2)c1	61000	nM
P00533	CHEMBL326811	C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1	1620317.04	nM
P00533	CHEMBL130633	COC1CC=C(OC)C(=C1)COc2ccc(O)c(c2)C(=O)OC	100000	nM
P00533	CHEMBL424625	COc1cc(\C=C(/C#N)\C(=O)N)cc(CSCCC(=O)O)c1O	125000	nM
P00533	CHEMBL386052	COc1cc2CNc3c(Nc4cccc(Cl)c4F)nc(C)nc3Oc2cc1OC	100000	nM
P00533	CHEMBL113985	COc1cc(NC(=O)\C=C\CN2CCOCC2)cc3c(Nc4cccc(Br)c4)c(cnc13)C#N	5390139.44	nM
P00533	CHEMBL593154	COc1ccccc1C(=CC2=COC3=NC(=N)NC(=C23)N)CC(C)C	200000	nM
P00533	CHEMBL7929	O=C1NC(=O)c2cc(Nc3ccc(cc3)c4ccccc4)c(Nc5ccc(cc5)c6ccccc6)cc12	100000	nM
P00533	CHEMBL168425	CCOC(=O)Cc1cc(ccc1O)\N=C\c2cc(O)ccc2O	100000	nM
P00533	CHEMBL341459	COc1ccc(OC)c(CNc2ccc(O)c(c2)C(=O)O)c1	100000	nM
P00533	CHEMBL57170	COc1ccc(C=C(C#N)C#N)cc1F	800000	nM
P00533	CHEMBL308048	NC(=O)\C(=C\c1ccc(O)cc1)\C#N	800000	nM
P00533	CHEMBL606362	COc1ccccc1C(CC(C)C)Cc2coc3nc(N)nc(N)c23	500000	nM
P00533	CHEMBL594339	CCC(C)C(Cc1coc2nc(N)nc(N)c12)c3ccccc3OC	200000	nM
P00533	CHEMBL7775	CN(c1ccccc1)c2cc3C(=O)NC(=O)c3cc2Nc4ccccc4	100000	nM
P00533	CHEMBL354300	CONC(=O)c1cc(ccc1O)\N=C\c2cc(O)ccc2O	100000	nM
P00533	CHEMBL117324	COC[C@@H]1CCCN1CC#CC(=O)Nc2ccc3ncc(C#N)c(Nc4cccc(Br)c4)c3c2	150003.02	nM
P00533	CHEMBL104	Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4	69421	nM
P00533	CHEMBL325156	CCN(CC)C(C)\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC)C#N	4840608.96	nM
P00533	CHEMBL57631	CC(=O)Nc1ccc(C=C(C#N)C#N)cc1	325000	nM
P00533	CHEMBL115440	COCCOCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1	930036.51	nM
P00533	CHEMBL79064	OC(=C(C#N)C#N)c1ccc(O)cc1	500000	nM
P00533	CHEMBL129856	COC(=O)c1cc(CCc2cc(OC)ccc2OC)ccc1O	100000	nM
P00533	CHEMBL98137	COc1ccc(Nc2ccnc3cc(OC)c(OC)cc23)cc1OC	80500	nM
P00533	CHEMBL293482	N#CC(=Cc1ncc[nH]1)C#N	532000	nM
P00533	CHEMBL56281	N#CC(=Cc1cccnc1)C#N	225000	nM
P00533	CHEMBL292648	Oc1cccc2C(=C(C#N)C#N)CCCc12	1200000	nM
P00533	CHEMBL114728	CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C	1600294.82	nM
P00533	CHEMBL59150	NC(=C(C#N)C#N)\C(=C\c1ccc2[nH]ccc2c1)\C#N	820000	nM
P00533	CHEMBL59150	NC(=C(C#N)C#N)\C(=C\c1ccc2[nH]ccc2c1)\C#N	60000	nM
P00533	CHEMBL293798	O=C1Nc2ccccc2C1=C(C#N)C#N	250000	nM
P00533	CHEMBL1095776	CC(C)c1ccccc1Nc2nc(N)nc3[nH]c(Cc4ccc(Cl)cc4Cl)cc23	96400	nM
P00533	CHEMBL324399	COc1cc2ncc(C#N)c(Nc3cccc(NC(=O)C)c3)c2cc1OC	69183.1	nM
P00533	CHEMBL384558	COc1cc2CNc3c(Nc4ccc(F)cc4Cl)ncnc3Oc2cc1OC	100000	nM
P00533	CHEMBL117326	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(=C)CN(C)C	560015.44	nM
P00533	CHEMBL114392	Fc1ccc(Nc2c(cnc3ccc(NC(=O)C(=C)CN4CCOCC4)cc23)C#N)cc1Cl	2700225.29	nM
P00533	CHEMBL281300	Brc1cccc(Nc2c(cnc3ccc(NC(=O)C=C)cc23)C#N)c1	590065.2	nM
P00533	CHEMBL450319	Oc1ccc(cc1)C(=C(C#N)C#N)C#N	600000	nM
P00533	CHEMBL45564	Oc1ccc(cc1)c2nc3c(O)cc(O)cc3s2	300000	nM
P00533	CHEMBL595497	CCCC(=CC1=COC2=NC(=N)NC(=C12)N)c3ccccc3OC	160300	nM
P00533	CHEMBL7352	COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc4ccc(OC)cc4)cc1	100000	nM
P00533	CHEMBL57471	CSc1ccc(C=C(C#N)C#N)cc1	625000	nM
P00533	CHEMBL385015	COc1cc2CNc3c(Nc4ccc(Br)cc4)ncnc3Oc2cc1OC	100000	nM
P00533	CHEMBL211982	COc1cc2CNc3c(Nc4ccc5ncsc5c4)ncnc3Sc2cc1OC	100000	nM
P00533	CHEMBL489349	O=Cc1ccc(cc1)C(=C(C#N)C#N)C#N	600000	nM
P00533	CHEMBL300341	N#CC(=Cc1occc1)C#N	1250000	nM
P00533	CHEMBL50	OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3	190000	nM
P00533	CHEMBL47966	Oc1ccc(cc1)N=Nc2ccc(O)cc2O	58000	nM
P00533	CHEMBL334973	Cn1c([Se][Se]c2c(C(=O)OC(C)(C)C)c3ccccc3n2C)c(C(=O)OC(C)(C)C)c4ccccc14	100000	nM
P00533	CHEMBL48085	Oc1cc(O)c2nc(sc2c1)c3ccc(O)c(O)c3	130000	nM
P00533	CHEMBL1095466	Cc1ccccc1Cc2cc3c(Nc4cccc(Br)c4)ncnc3[nH]2	300000	nM
P00533	CHEMBL114073	COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C(C)N4CCOCC4	10590098.51	nM
P00533	CHEMBL26001	OC(c1ccc2ccccc2c1)P(=O)(O)O	200000	nM
P00533	CHEMBL26001	OC(c1ccc2ccccc2c1)P(=O)(O)O	250000	nM
P00533	CHEMBL1094782	COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)ncnc3[nH]2)c1	300000	nM
P00533	CHEMBL114593	COCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1	960063.59	nM
P00533	CHEMBL169081	COC(=O)Cc1cc(ccc1O)\N=C\c2cc(O)ccc2O	100000	nM
P00533	CHEMBL145	OC(=O)\C=C\c1ccc(O)c(O)c1	1000000	nM
P00533	CHEMBL535	CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C	172100	nM
P00533	CHEMBL535	CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C	172100	nM
P00533	CHEMBL535	CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C	172100	nM
P00533	CHEMBL535	CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C	172100	nM
P00533	CHEMBL535	CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C	172100	nM
P00533	CHEMBL336174	NC(Cc1c(SSc2[nH]c3ccccc3c2CC(N)C(=O)NCc4ccccc4)[nH]c5ccccc15)C(=O)NCc6ccccc6	100000	nM
P00533	CHEMBL171000	OC(=O)Cc1cc(ccc1O)\N=C\c2cc(O)ccc2O	60000	nM
P00533	CHEMBL113902	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C	7500668.99	nM
P00533	CHEMBL83228	COc1ccc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc1OC	50118.72	nM
P00533	CHEMBL44227	Oc1ccc(cc1)c2nc3ccc(O)cc3s2	130000	nM
P00533	CHEMBL109625	COc1cc2ncc(C#N)c(Nc3cccc(c3)C(C)C)c2cc1OC	61659.5	nM
P00533	CHEMBL383999	COc1cc2CNc3c(Nc4ccc(C)c(Br)c4)nc(C)nc3Sc2cc1OC	100000	nM
P00533	CHEMBL484321	CC(C)(C)OC[C@H](Cn1ccnc1[N+](=O)[O-])OC(=O)c2ccc(NC=C3C(=O)C=CC3=O)cc2	213	/uM
P00533	CHEMBL603198	COc1ccccc1C(Cc2coc3nc(N)nc(N)c23)C4CC4	56500	nM
P00533	CHEMBL294681	C[S+]([O-])c1ccc(C=C(C#N)C#N)cc1	1800000	nM
P00533	CHEMBL1642294	Cc1ccc(cc1)c2cn(nn2)C3CCCCC3=O	100000	nM
P00533	CHEMBL116857	COc1cc(NC(=O)\C=C\CN(C)C)cc2c(Nc3cccc(Br)c3)c(cnc12)C#N	2880049.82	nM
P00533	CHEMBL116853	COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C	90011.91	nM
P00533	CHEMBL283682	CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1	940156.17	nM
P00533	CHEMBL193456	CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1	100000	nM
P00533	CHEMBL324718	COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C=C	810027.94	nM
P00533	CHEMBL332497	COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN4CCOCC4	3830010.81	nM
P00533	CHEMBL316764	OC(=O)c1cc(ccc1O)\N=C\c2cc(O)ccc2O	100000	nM
P00533	CHEMBL276711	Cc1cc(C)c(\C=C\2/C(=O)Nc3ccccc23)[nH]1	100000	nM
P00533	CHEMBL276711	Cc1cc(C)c(\C=C\2/C(=O)Nc3ccccc23)[nH]1	100000	nM
P00533	CHEMBL441279	COCOCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1	330065.4	nM
P00533	CHEMBL57663	N#CC(=Cc1ccc(cc1)C#N)C#N	1400000	nM
P00533	CHEMBL421047	CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC(F)(F)F)C#N	2640584.08	nM
P00533	CHEMBL323630	CN(C)C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1	650129.69	nM
P00533	CHEMBL114490	COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C	2320064.19	nM
P00533	CHEMBL30973	CN(C)C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1	310027.34	nM
P00533	CHEMBL424252	CCN(CC)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC)C#N	1910293.07	nM
P00533	CHEMBL604879	CCCCC(=CC1=COC2=NC(=N)NC(=C12)N)c3ccccc3OC	529300	nM
P00533	CHEMBL56964	COc1cc2C(=C(C#N)C#N)C(=O)Nc2cc1O	60000	nM
P00533	CHEMBL56964	COc1cc2C(=C(C#N)C#N)C(=O)Nc2cc1O	120000	nM
P00533	CHEMBL109259	COc1cc2c(Nc3cccc(Cl)c3)ncc(C#N)c2cc1OC	89125.09	nM
P00533	CHEMBL120077	COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3c2cc1OC	100000	nM
P00533	CHEMBL120077	COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3c2cc1OC	100000	nM
P00533	CHEMBL327023	Brc1cccc(Nc2c(cnc3ccc(NC(=O)C#CCN4CCSCC4)cc23)C#N)c1	550047.25	nM
P00533	CHEMBL43689	Oc1ccc(\C=C(/C#N)\c2ccccn2)cc1	71700	nM
P00533	CHEMBL354757	CCOP(=O)(Cc1cc(ccc1O)\N=C\c2cc(O)ccc2O)OCC	100000	nM
P00533	CHEMBL354757	CCOP(=O)(Cc1cc(ccc1O)\N=C\c2cc(O)ccc2O)OCC	75000	nM
P00533	CHEMBL215280	COc1cc2CNc3c(Sc2cc1OC)ncnc3N(C)c4cccc(Br)c4	100000	nM
P00533	CHEMBL443169	CCC(C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)\C=C\N(c3ccccc3)c4ccc5ccccc5c4	100000	nM
P00533	CHEMBL1094783	Clc1ccc(Cc2cc3c(Nc4cccc(Br)c4)ncnc3[nH]2)c(Cl)c1	300000	nM
P00533	CHEMBL1095762	Nc1nc(Nc2ccc(Br)cc2Cl)c3cc(Cc4ccc(Cl)cc4Cl)[nH]c3n1	300000	nM
P00533	CHEMBL193643	Nc1nc(Nc2ccc(cc2)S(=O)(=O)N)ccc1C(=O)c3c(F)cccc3F	100000	nM
P00533	CHEMBL292609	N#CC(=Cc1ccc2N(Cc3ccccc3)CCc2c1)C#N	2500000	nM
P00533	CHEMBL192737	COCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1	100000	nM
P00533	CHEMBL116525	COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CC	190020.3	nM
P00533	CHEMBL113996	COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCOCC4	13567505.3	nM
P00533	CHEMBL474538	Nc1nc(Nc2cccc(Br)c2)c3cc(Cc4cccc5ccccc45)[nH]c3n1	200000	nM
P00533	CHEMBL594810	COc1ccccc1C(=CC2=COC3=NC(=N)NC(=C23)N)C(C)C	111400	nM
P00533	CHEMBL386579	COc1cc2CNc3c(Nc4cccc(Cl)c4F)nc(C)nc3Sc2cc1OC	100000	nM
P00533	CHEMBL386296	COc1cc2CNc3c(Nc4ccc(Cl)c(C)c4)nc(C)nc3Sc2cc1OC	100000	nM
P00533	CHEMBL489148	COc1cc(cc(OC)c1O)C(=C(C#N)C#N)C#N	900000	nM
P00533	CHEMBL1094808	Nc1nc(Nc2ccc(c(F)c2)C(F)(F)F)c3cc(Cc4ccc(Cl)cc4Cl)[nH]c3n1	91700	nM
P00533	CHEMBL76602	OC(=O)\C(=C\c1ccc(O)cc1)\C#N	200000	nM
P00533	CHEMBL606039	COc1ccccc1\C(=C/c2coc3nc(N)nc(N)c23)\C	200000	nM
P00533	CHEMBL584	Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C	55629	nM
P00533	CHEMBL263788	COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C	790132.64	nM
P00533	CHEMBL294213	N#CC(=Cc1ccc2[nH]ccc2c1)C#N	2200000	nM
P00533	CHEMBL294213	N#CC(=Cc1ccc2[nH]ccc2c1)C#N	100000	nM
P00533	CHEMBL291753	Oc1ccc(\C=C(/C#N)\C(=O)N2CCCCC2)cc1O	1000000	nM
P00533	CHEMBL113901	COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C(C)N(C)C	5220354.55	nM
P00533	CHEMBL131405	COC1CC=C(OC)C(=C1)COc2ccc(O)c(c2)C(=O)O	100000	nM
P00533	CHEMBL298810	N#CC(=Cc1cc[nH]n1)C#N	1480000	nM
P00533	CHEMBL117055	CCOc1ccc2nc(SCc3cc(\C=C(/C#N)\C(=O)N)cc(OC)c3O)sc2c1	100000	nM
P00533	CHEMBL380168	COc1cc2CNc3c(Nc4cccc(Br)c4)nc(C)nc3Oc2cc1OC	100000	nM
P00533	CHEMBL214999	COc1cc2CNc3c(Nc4cccc(Cl)c4F)ncnc3Sc2cc1OC	62900	nM
P00533	CHEMBL449114	Oc1cccc(c1)C(=C(C#N)C#N)C#N	400000	nM
P00533	CHEMBL431818	COc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1OC	100000	nM
P00533	CHEMBL477	Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O	195000	nM
P00533	CHEMBL56674	[Na+].[O-]S(=O)(=O)c1oc(C=C(C#N)C#N)cc1	250000	nM
P00533	CHEMBL324439	COc1cc2c(Nc3cccc(Br)c3)ncc(C#N)c2cc1OC	70794.58	nM
P00533	CHEMBL1929556	COc1ccc(OC)c(Cc2cc3c(Nc4ccc(Cl)cc4F)nc(N)nc3[nH]2)c1	112700	nM
P00533	CHEMBL1910278	Nc1nc(NCCO)nc2nc(NCCO)c3c(N)scc3c12	66100	nM
P00533	CHEMBL1929557	COc1ccc(OC)c(Cc2cc3c(Nc4ccc(Cl)cc4)nc(N)nc3[nH]2)c1	200000	nM
P00533	CHEMBL1910276	Nc1nc(NCCO)nc2nc(Nc3ccc(cc3)S(=O)(=O)N)c(cc12)C#N	100000	nM
P00533	CHEMBL1910274	Nc1nc(NCCO)nc2nc(NCCO)c(cc12)C#N	100000	nM
P00533	CHEMBL1929553	Cc1ccccc1Cc2cc3c(Nc4ccc(Cl)cc4)nc(N)nc3[nH]2	200000	nM
P00533	CHEMBL1910271	Cc1c(C#N)c(Nc2ccc(cc2)S(=O)(=O)N)nc3ncnc(N)c13	100000	nM
P00533	CHEMBL1910277	Cc1c(C#N)c(Nc2ccc(cc2)S(=O)(=O)N)nc3nc(NCCO)nc(N)c13	100000	nM
P00533	CHEMBL1929554	Nc1nc(Nc2ccc(Cl)cc2F)c3cc(Cc4cccc5ccccc45)[nH]c3n1	112100	nM
P00533	CHEMBL1910269	Cc1c(C#N)c(NCCO)nc2ncnc(N)c12	100000	nM
P00533	CHEMBL1910270	Nc1ncnc2nc(Nc3ccc(cc3)S(=O)(=O)N)c(cc12)C#N	100000	nM
P00533	CHEMBL1910272	Nc1ncnc2nc(NCCO)c3c(N)scc3c12	100000	nM
P00533	CHEMBL1910279	Nc1nc(NCCO)nc2nc(Nc3ccc(cc3)S(=O)(=O)N)c4c(N)scc4c12	100000	nM
P00533	CHEMBL1910268	Nc1ncnc2nc(NCCO)c(cc12)C#N	93300	nM
P00533	CHEMBL1956894	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4ccc(Cl)c(Cl)c4)c3n1	200000	nM
P00533	CHEMBL1956898	COc1cc(Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23)cc(OC)c1OC	200000	nM
P00533	CHEMBL1956888	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4ccccc4)c3n1	166400	nM
P00533	CHEMBL1956891	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4ccc(Cl)cc4)c3n1	99900	nM
P00533	CHEMBL1956896	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4ccc5ccccc5c4)c3n1	200000	nM
P00533	CHEMBL1956889	Cc1ccccc1Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23	113300	nM
P00533	CHEMBL1956890	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4ccccc4Cl)c3n1	200000	nM
P00533	CHEMBL1956892	COc1ccc(OC)c(Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23)c1	69200	nM
P00533	CHEMBL1956893	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4ccc(Cl)cc4Cl)c3n1	200000	nM
P00533	CHEMBL1956895	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4cccc5ccccc45)c3n1	200000	nM
P00533	CHEMBL1956897	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4ccc(cc4)c5ccccc5)c3n1	200000	nM
P00533	CHEMBL2047243	Nc1nc2Cc3ccccc3c2c(Nc4ccccc4)n1	200000	nM
P00533	CHEMBL2047249	Nc1nc2Cc3ccccc3c2c(Nc4ccc(Br)cc4)n1	300000	nM
P00533	CHEMBL2047246	Nc1nc2Cc3ccccc3c2c(Nc4cccc(F)c4)n1	300000	nM
P00533	CHEMBL2047251	COc1cccc(Nc2nc(N)nc3Cc4ccccc4c23)c1	200000	nM
P00533	CHEMBL2047252	Nc1nc2Cc3ccccc3c2c(Nc4ccc(F)c(Cl)c4)n1	200000	nM
P00533	CHEMBL2047241	Nc1nc2Cc3ccccc3c2c(Nc4ccc(F)cc4)n1	276100	nM
P00533	CHEMBL2064396	CC(C)(C)c1ccc(Nc2ncnc3cc4OC(=O)N(CCCN5CCOCC5)c4cc23)cc1	79000	nM
P00533	CHEMBL2064400	O=C1Oc2cc3ncnc(NCc4ccccc4)c3cc2N1CCCN5CCOCC5	65000	nM
P00533	CHEMBL2047244	CC(C)c1ccccc1Nc2nc(N)nc3Cc4ccccc4c23	200000	nM
P00533	CHEMBL2047250	Nc1nc2Cc3ccccc3c2c(Nc4ccc(cc4)C(F)(F)F)n1	300000	nM
P00533	CHEMBL2064379	Cc1cc(C)cc(Nc2ncnc3cc4OC(=O)N(CCCN5CCOCC5)c4cc23)c1	75000	nM
P00533	CHEMBL2113092	CCCCOc1cc(Nc2ccc(cc2)S(=O)(=O)N)nc(N)c1C(=O)c3c(F)cccc3F	100000	nM
P00533	CHEMBL2337365	Nc1nc(Nc2cccc(F)c2)c3c(n1)[nH]c4cccc(Cl)c34	200000	nM
P00533	CHEMBL2337366	COc1cccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)c1	82900	nM
P00533	CHEMBL2335017	CC(C)(C)C(=O)Nc1nc(Nc2cccc(c2)C#C)c3cc(CCc4ccccn4)[nH]c3n1	200000	nM
P00533	CHEMBL2337374	Nc1nc(Nc2ccccc2)c3c(n1)[nH]c4cccc(Cl)c34	200000	nM
P00533	CHEMBL2337367	CC(C)(C)C(=O)Nc1nc(Nc2ccccc2)c3c(n1)[nH]c4cccc(Cl)c34	114700	nM
P00533	CHEMBL2335378	Nc1nc(Nc2ccc(F)c(Cl)c2)c3cc(CCc4ccccn4)[nH]c3n1	110600	nM
P00533	CHEMBL2337369	CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2)c3c(n1)[nH]c4cccc(Cl)c34	58700	nM
P00533	CHEMBL2337363	Nc1nc(Nc2ccc(Cl)cc2)c3c(n1)[nH]c4cccc(Cl)c34	63600	nM
P00533	CHEMBL2335377	Nc1nc(Nc2ccc(F)c(Br)c2)c3cc(CCc4ccccn4)[nH]c3n1	85900	nM
P00533	CHEMBL2337370	CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2F)c3c(n1)[nH]c4cccc(Cl)c34	200000	nM
P00533	CHEMBL2337372	COc1cccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)c1	130500	nM
P00533	CHEMBL2262407	CCCNCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1	130016.96	nM
P00533	CHEMBL2262408	CC(C)NCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1	250034.54	nM
P00533	CHEMBL2419669	COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4ccc(F)cc4F)cc3F)ccnc2cc1OCCCN5CCC(C)CC5	100000	nM
P00533	CHEMBL3098324	COc1cc2nc(Cl)nc(Nc3ccc(cc3)C(=O)O)c2cc1OC	100000	nM
P00533	CHEMBL3098312	COc1cc2nc(Cl)nc(Nc3ccc(cc3)S(=O)(=O)N(C)C)c2cc1OC	67200	nM
P00533	CHEMBL3098315	COc1cc2nc(Cl)nc(Nc3ccc(cc3)S(=O)(=O)C)c2cc1OC	61500	nM
P00533	CHEMBL3098316	CS(=O)(=O)c1ccc(Nc2nc(Cl)nc3cc4OCOc4cc23)cc1	100000	nM
P00533	CHEMBL3098320	CN(C)c1ccc(Nc2nc(Cl)nc3cc4OCOc4cc23)cc1	100000	nM
P00533	CHEMBL3098314	CN(C)S(=O)(=O)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1	100000	nM
P00533	CHEMBL3098311	Clc1nc(Nc2ccc(cc2)S(=O)(=O)Nc3nccs3)c4cc5OCOc5cc4n1	100000	nM
P00533	CHEMBL3098323	COc1cc2nc(Cl)nc(Nc3ccc(cc3)S(=O)(=O)O)c2cc1OC	100000	nM
P00533	CHEMBL3133910	NS(=O)(=O)c1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1	76500	nM
P00533	CHEMBL3133900	C=CC(=O)N1CCc2c(C1)sc3ncnc(NC4CCCCC4)c23	150000	nM
P00533	CHEMBL3133906	COc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c(OC)c1	53600	nM
P00533	CHEMBL3133911	NC(=N)NS(=O)(=O)c1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1	53300	nM
P00533	CHEMBL3116440	COc1cc2c(Oc3ccc(N\C=C\4/C(=O)NC(=O)N(C4=O)c5ccc(C)cc5)cc3F)ccnc2cc1OCCCN6CCCC6	100000	nM
P00533	CHEMBL3361128	Oc1ccc(\C=C/2\Oc3ccccc3C2=O)cc1O	100000	nM
P00533	CHEMBL3339360	COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN5CCCC5	100000	nM
P00533	CHEMBL3358966	COc1cc(cc(OC)c1OC)C2=NC(=CNC2=O)c3c[nH]c4ccccc34	100000	nM
P00533	CHEMBL3353407	COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2ncc(Cl)c(n2)c3cn(C)c4ccccc34	58000	nM
P00533	CHEMBL3353410	COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34	480000	nM
P00533	CHEMBL3353396	COc1cc(N2CCN(CC2)C(=O)[C@H](C)N)c(NC(=O)C=C)cc1Nc3ncc(Cl)c(n3)c4cnn5ccccc45	1600000	nM
P00533	CHEMBL3353397	COc1cc(N2CCN(CC2)C(=O)[C@@H]3CCCCN3)c(NC(=O)C=C)cc1Nc4ncc(Cl)c(n4)c5cnn6ccccc56	6060000	nM
P00533	CHEMBL3353398	COc1cc(N2CCN(CC2)C(=O)[C@H]3CCCCN3)c(NC(=O)C=C)cc1Nc4ncc(Cl)c(n4)c5cnn6ccccc56	5600000	nM
P00533	CHEMBL3353405	COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc3ncc(Cl)c(n3)c4cnn5ccccc45	938000	nM
P00533	CHEMBL3353399	CNCC(=O)N1CCN(CC1)c2cc(OC)c(Nc3ncc(Cl)c(n3)c4cnn5ccccc45)cc2NC(=O)C=C	7500000	nM
P00533	CHEMBL3353412	CNCCN(C)c1cc(OC)c(Nc2nccc(n2)c3cn(C)c4ccccc34)cc1NC(=O)C=C	786000	nM
P00533	CHEMBL3335244	COc1cc(Br)c(Br)c(\C=N\c2ccc3NC(=O)Nc3c2)c1O	88670	nM
P00533	CHEMBL3335245	CCOc1cc(Br)c(Br)c(\C=N\c2ccc3NC(=O)Nc3c2)c1O	76700	nM
P00533	CHEMBL3353401	COc1cc(N2CCN(CC2)C(=O)N3CCNCC3)c(NC(=O)C=C)cc1Nc4ncc(Cl)c(n4)c5cnn6ccccc56	10300000	nM
P00533	CHEMBL3353403	COc1cc(N2CC[C@H](C2)N(C)C)c(NC(=O)C=C)cc1Nc3ncc(Cl)c(n3)c4cnn5ccccc45	357000	nM
P00533	CHEMBL3353404	COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2ncc(Cl)c(n2)c3cnn4ccccc34	145000	nM
P00533	CHEMBL3353409	COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2ncc(C)c(n2)c3cn(C)c4ccccc34	71000	nM
P00533	CHEMBL3353395	COc1cc(N2CCN(CC2)C(=O)CN(C)C)c(NC(=O)C=C)cc1Nc3ncc(Cl)c(n3)c4cnn5ccccc45	10000000	nM
P00533	CHEMBL3353400	COc1cc(N2CCN(CC2)C(=O)[C@H](C)O)c(NC(=O)C=C)cc1Nc3ncc(Cl)c(n3)c4cnn5ccccc45	11000000	nM
P00533	CHEMBL3594105	COc1cc2c(Oc3ccc(NC(=O)C4=C(C)N(C(=O)N4)c5ccccc5Cl)cc3F)ccnc2cc1OCCCN6CCN(C)CC6	100000	nM
P00533	CHEMBL3353402	COc1cc(N2CCN(CC2)C(=O)[C@@H](C)N)c(NC(=O)C=C)cc1Nc3ncc(Cl)c(n3)c4cnn5ccccc45	9000000	nM
P00533	CHEMBL3800262	CC(=O)c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1	57000	nM
P00533	CHEMBL3764279	COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN5CCCCC5	100000	nM
P00533	CHEMBL3780676	COc1cc2c(Oc3ccc(NC(=O)C4=C(Cl)c5ccccc5N(C4=O)c6ccc(F)cc6)cc3F)ccnc2cc1OCCCN7CCN(C)CC7	100000	nM
P00533	CHEMBL3734988	C[C@@H](O)c1nc2cnc(Nc3ccnc(n3)N4CC[C@H](O)[C@H](F)C4)cc2n1[C@H](C)C(F)(F)F	261000	nM
P00533	CHEMBL3805849	Clc1ccc(cc1Cl)C2CC(=NN2c3ccccc3)c4ccc5OCCOc5c4	192000	nM
P00533	CHEMBL3806108	CN(C)c1ccc(cc1)C2CC(=NN2c3ccccc3)c4ccc5OCCOc5c4	300000	nM
P00533	CHEMBL3805675	COc1cccc(c1)C2CC(=NN2c3ccccc3)c4ccc5OCCOc5c4	300000	nM
P00533	CHEMBL3805409	Clc1cccc(c1)C2CC(=NN2c3ccccc3)c4ccc5OCCOc5c4	81200	nM
P15090	CHEMBL1084580	COc1ccc(cc1)c2c(NC(=O)CSCC(=O)O)n(C)nc2C(F)(F)F	100000	nM
P15090	CHEMBL185309	Oc1cc(nc(NCc2ccc(Cl)cc2)n1)c3ccccc3F	100000	nM
P15090	CHEMBL185298	Oc1cc(nc(NCc2ccncc2)n1)C(F)(F)F	100000	nM
P15090	CHEMBL183180	Oc1cc(nc(NCc2ccc(cc2)c3ccccc3)n1)C(F)(F)F	100000	nM
P15090	CHEMBL185432	OC(=O)Cn1c2ccccc2c3ccccc13	100000	nM
P15090	CHEMBL184911	NC(=O)c1cn(c2ccccc12)S(=O)(=O)c3ccccc3C(=O)O	100000	nM
P15090	CHEMBL1084821	C(Sc1nc2ccccc2[nH]1)c3cccc(CSc4nc5ccccc5[nH]4)n3	100000	nM
P15090	CHEMBL1085065	Cc1ccc(SC(CC(=O)c2ccc(C)cc2)C(=O)O)cc1	100000	nM
P15090	CHEMBL185561	Oc1cc(nc(Nc2ccccc2)n1)C(F)(F)F	100000	nM
P15090	CHEMBL364177	Oc1cc(nc(NCc2ccc(Cl)cc2)n1)c3ccccc3	100000	nM
P15090	CHEMBL1086224	OC(=O)CSCC(=O)Nc1ccc(F)c(Cl)c1	59500	nM
P15090	CHEMBL1085797	OC(=O)CSCC(=O)NCc1ccccc1N2CCCCC2	56300	nM
P15090	CHEMBL1086457	COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCC(=O)O	100000	nM
P15090	CHEMBL1084578	[O-][N+](=O)c1ccc(cc1OS(=O)(=O)c2cc(Cl)cc(Cl)c2)S(=O)(=O)c3ccccc3	100000	nM
P15090	CHEMBL1084579	Clc1ccc(c(Cl)c1)S(=O)(=O)CCSC2=NNC(=O)N2c3ccc4OCCOc4c3	100000	nM
P15090	CHEMBL363985	Oc1cc(nc(NCCc2ccccc2)n1)C(F)(F)F	100000	nM
P15090	CHEMBL185478	Cc1cc(O)nc(NCc2ccc(Cl)cc2)n1	100000	nM
P15090	CHEMBL185617	COc1cccc2c1ccn2S(=O)(=O)c3ccccc3C(=O)O	89000	nM
P15090	CHEMBL184036	Oc1cc(nc(CCc2ccccc2)n1)C(F)(F)F	100000	nM
P15090	CHEMBL2334253	OC(=O)CCCCOc1ccccc1c2cc(c3ccc(Br)cc3)n(n2)c4ccccc4	86000	nM
P15090	CHEMBL2331584	Cc1ccc(cc1)c2cc(nn2c3ccccc3)c4ccccc4OCCCCC(=O)O	259000	nM
P15090	CHEMBL2334245	OC(=O)COc1ccccc1c2cc(c3ccc(Cl)cc3)n(n2)c4ccccc4	10000000	nM
P15090	CHEMBL2334247	OC(=O)CCCCOc1ccccc1c2cc(c3ccc(Cl)cc3)n(n2)c4ccccc4	74000	nM
P15090	CHEMBL3400904	CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N	100000	nM
P15090	CHEMBL3400903	CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n2cnc3ccc(N)cc23	100000	nM
P15090	CHEMBL3400889	CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n2c(C)nc3ccc(Br)cc23	82800	nM
P15090	CHEMBL3400885	CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n2c(C)nc3ccccc23	100000	nM
P07333	CHEMBL3629013	N#Cc1ccnc(Nc2cc(C3CCN(CC3)C4COC4)n(n2)C5CCCC5)c1	57000	nM
P05979	CHEMBL22712	CC(C)(O)c1nc(c2ccc(F)cc2)c([nH]1)c3ccncc3	87000	nM
P05979	CHEMBL187583	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC(=C2)c3ccccc3)c4ccccc4	100000	nM
P05979	CHEMBL281001	CS(=O)(=O)c1cnn(c2ccc(cc2)S(=O)(=O)N)c1c3ccc(Cl)cc3	52480.75	nM
P05979	CHEMBL368407	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL144033	CC(C)(C)OC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	100000	nM
P05979	CHEMBL1684388	COC1(CCOCC1)c2cccc(CN(c3cc(Cl)ccc3OCc4ccccc4)S(=O)(=O)C)c2	100000	nM
P05979	CHEMBL285828	COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)C(C)C)c(C)n2C(=O)c3ccc(Cl)cc3	63000	nM
P05979	CHEMBL285828	COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)C(C)C)c(C)n2C(=O)c3ccc(Cl)cc3	63000	nM
P05979	CHEMBL319825	COc1ccc2c(c1)c(CC(=O)Oc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL95469	COc1ccc2c(c1)c(CC(=O)Nc3ccc(NC(=O)C)cc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL1299386	COc1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1	100000	nM
P05979	CHEMBL743	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)C(=O)O)C(F)(F)F	251188.64	nM
P05979	CHEMBL148428	NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccc(Cl)cc3)C(F)(F)F	336000	nM
P05979	CHEMBL745	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(CO)cc3)C(F)(F)F	1000000	nM
P05979	CHEMBL144781	CCOC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3	288000	nM
P05979	CHEMBL126418	CS(=O)(=O)c1ccc(cc1)c2[nH]c(Br)cc2c3ccc(F)cc3	132500	nM
P05979	CHEMBL306667	Nc1nc(F)c(F)c(c1F)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4	100000	nM
P05979	CHEMBL1642993	Cc1ccc(NC(=O)c2cnc(O)c(Cl)c2)cc1	95000	nM
P05979	CHEMBL146441	CSc1ccccc1OC(=O)CBr	320000	nM
P05979	CHEMBL339222	CC(C)(C)OC(=O)n1c(Br)cc(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C	300000	nM
P05979	CHEMBL1643021	Cc1ccc(cn1)C(=O)Nc2ccc(F)cc2	70000	nM
P05979	CHEMBL1243100	CS(=O)(=O)c1ccc(cc1)N2CCN(CC2)c3ccc(F)cc3	80000	nM
P05979	CHEMBL610493	OC(=O)Cc1cccc(c1)C2=CC(=O)N(C=C2)C(F)F	100000	nM
P05979	CHEMBL513184	NS(=O)(=O)c1ccc(cc1)n2cc(nn2)c3ccccc3	100000	nM
P05979	CHEMBL469220	Cc1ccc(cc1)c2cn(nn2)c3ccc(cc3)S(=O)(=O)N	65000	nM
P05979	CHEMBL570290	COc1cc(cc(OC)c1OC)[C@H]2[C@H](C)[C@]3(OC)C=C(CC=C)[C@H](O)[C@]2(OC)[C@H]3O	74600	nM
P05979	CHEMBL570318	COc1cc(cc(OC)c1OC)[C@@H]2[C@@H](C)[C@]3(OC)C=C(CC=C)C(=O)[C@@H]2[C@H]3O	72100	nM
P05979	CHEMBL172364	CS(=O)(=O)c1ccc(cc1)c2ccccc2Oc3ccccc3	1000000	nM
P05979	CHEMBL329480	COc1ccc2c(c1)c(CC(=O)Nc3cccnc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL1258959	COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C3=CCC(=O)N(C3)C(F)F	100000	nM
P05979	CHEMBL184767	CCOc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccc(cc3)S(=O)(=O)C)c4ccccc4	100000	nM
P05979	CHEMBL96842	CS(=O)(=O)c1ccc(cc1)c2cccnc2c3ccccc3	1000000	nM
P05979	CHEMBL525601	CC(C)[C@H](N(C)C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(=C[C@H]2[C@@H]4C(C)(C)[C@]14OC(=O)C)CO	100000	nM
P05979	CHEMBL578402	C[C@@H]1[C@H](Oc2cc(O)c(CC=C)cc12)c3ccc4OCOc4c3	179000	nM
P05979	CHEMBL126345	CS(=O)(=O)c1ccc(cc1)c2[nH]c(SC#N)cc2c3ccc(F)cc3	219000	nM
P05979	CHEMBL463351	CC(C)C(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O	58700	nM
P05979	CHEMBL174314	CS(=O)(=O)c1ccc(cc1)c2ccccc2Cc3ccccc3	300000	nM
P05979	CHEMBL412064	Clc1cccc(\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O)c1	200000	nM
P05979	CHEMBL602675	CS(=O)(=O)c1ccc(cc1)n2nc(cc2C3CCN(CCCCO[N+](=O)[O-])CC3)C(F)(F)F	100000	nM
P05979	CHEMBL97467	COc1ccc2c(c1)c(CC(=O)Oc3cc(C)cc(C)c3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL70835	CSC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	100000	nM
P05979	CHEMBL70835	CSC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	100000	nM
P05979	CHEMBL407592	[O-][N+](=O)c1ccc(\C=C/2\S\C(=N\c3nccs3)\NC2=O)cc1	141300	nM
P05979	CHEMBL407592	[O-][N+](=O)c1ccc(\C=C/2\S\C(=N\c3nccs3)\NC2=O)cc1	141300	nM
P05979	CHEMBL261429	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4c(Cl)cccc34)C(F)(F)F	100000	nM
P05979	CHEMBL261429	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4c(Cl)cccc34)C(F)(F)F	100000	nM
P05979	CHEMBL261429	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4c(Cl)cccc34)C(F)(F)F	100000	nM
P05979	CHEMBL596757	CC(C)Cc1ccc(cc1)C(C)C(=O)Nc2ncccc2C	170000	nM
P05979	CHEMBL596757	CC(C)Cc1ccc(cc1)C(C)C(=O)Nc2ncccc2C	240000	nM
P05979	CHEMBL596757	CC(C)Cc1ccc(cc1)C(C)C(=O)Nc2ncccc2C	60000	nM
P05979	CHEMBL364663	CC\C(=C(/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C)\c3ccccc3	100000	nM
P05979	CHEMBL357543	Cc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F	278000	nM
P05979	CHEMBL213326	COc1ccc(cc1OC)N=Nc2ccc(cc2)S(=O)(=O)N	100000	nM
P05979	CHEMBL241970	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F	500000	nM
P05979	CHEMBL239860	CS(=O)(=O)c1ccc(\C=C(\C(=O)OCON=[N+]([O-])N2CCCC2)/c3ccc(F)cc3)cc1	100000	nM
P05979	CHEMBL184025	CS(=O)(=O)c1ccc(cc1)C2=C(C=C(OC2=O)c3ccc(cc3)C(F)(F)F)c4ccccc4	100000	nM
P05979	CHEMBL365432	CCC\C(=C(/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C)\c3ccccc3	100000	nM
P05979	CHEMBL317606	CS(=O)(=O)c1ccc(cc1)c2cc(sc2c3ccc(F)cc3)[N+](=O)[O-]	1000000	nM
P05979	CHEMBL127203	Cn1c(Br)c(Br)c(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C	766670	nM
P05979	CHEMBL144553	COC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3	1000000	nM
P05979	CHEMBL97088	COc1ccc2c(c1)c(CC(=O)Oc3cccc4ccccc34)c(C)n2C(=O)c5ccc(Cl)cc5	66000	nM
P05979	CHEMBL374646	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(c2c1)S(=O)(=O)c4ccc(Cl)cc4	100000	nM
P05979	CHEMBL65541	Nc1nc(N)c(F)c(c1F)c2nc(c3ccc(F)cc3)c(s2)c4ccncc4	100000	nM
P05979	CHEMBL204795	COC(=O)c1ccc(cc1)C(=O)C#Cc2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL171471	CS(=O)(=O)c1ccc(cc1)c2ccccc2C3CCCCC3	1000000	nM
P05979	CHEMBL45247	CS(=O)(=O)Nc1ccc(cc1)c2cc(nn2c3ccc(Cl)cc3)C(F)F	63000	nM
P05979	CHEMBL66601	Nc1nc(N)c(F)c(c1F)c2nc(c3ccncc3)c([nH]2)c4occc4	100000	nM
P05979	CHEMBL162300	COC(=O)C(C)c1ccc(c(F)c1)c2ccccc2	210000	nM
P05979	CHEMBL279801	CCSc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C	100000	nM
P05979	CHEMBL148568	CCc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F	500000	nM
P05979	CHEMBL172720	CS(=O)(=O)c1ccc(cc1)c2nccnc2c3ccccc3	300000	nM
P05979	CHEMBL95989	CCCC\C=C\COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL170180	CS(=O)(=O)c1ccc(cc1)c2ccc(cc2c3ccccc3)[N+](=O)[O-]	100000	nM
P05979	CHEMBL173194	CC(C)c1ccc2Cc3cc(ccc3Oc2n1)C(C)C(=O)O	100000	nM
P05979	CHEMBL100331	CCCCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL171299	CS(=O)(=O)c1ccc(cc1)c2cc(ccc2c3ccccc3)[N+](=O)[O-]	300000	nM
P05979	CHEMBL145029	CC(=O)Oc1ccccc1SCCc2ccccc2	150000	nM
P05979	CHEMBL258986	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4ccccc34)C(F)(F)F	100000	nM
P05979	CHEMBL258986	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4ccccc34)C(F)(F)F	100000	nM
P05979	CHEMBL258986	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4ccccc34)C(F)(F)F	100000	nM
P05979	CHEMBL260691	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4ccc(F)cc34)C(F)(F)F	100000	nM
P05979	CHEMBL263640	Nc1cccc2[nH]cc(C3CC(=NN3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F)c12	100000	nM
P05979	CHEMBL363547	CS(=O)(=O)c1ccc(cc1)C2=C(C=C(OC2=O)c3ccc(O)cc3)c4ccccc4	100000	nM
P05979	CHEMBL97040	COc1ccc2c(c1)c(CC(=O)OCCN3CCOCC3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL148100	COc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F	63000	nM
P05979	CHEMBL317517	CS(=O)(=O)c1ccc(cc1)c2c3CCCCc3sc2c4ccccc4	1000000	nM
P05979	CHEMBL56367	CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]	100000	nM
P05979	CHEMBL95558	COC(=O)Cc1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24)cc1	66000	nM
P05979	CHEMBL100092	CCCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL224323	Cc1ccc(cc1)C2=C(COC2=O)c3ccc(NS(=O)(=O)C)cc3	100000	nM
P05979	CHEMBL173283	CS(=O)(=O)c1ccc(cc1)c2ccccc2C3=CCCCC3	1000000	nM
P05979	CHEMBL100156	CS(=O)(=O)c1ccc(cc1)c2cscc2c3ccccc3	1000000	nM
P05979	CHEMBL187137	COc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccc(cc3)S(=O)(=O)C)c4ccccc4	100000	nM
P05979	CHEMBL330200	COc1ccc2c(c1)c(CC(=O)Oc3ccc4ccccc4c3)c(C)n2C(=O)c5ccc(Cl)cc5	66000	nM
P05979	CHEMBL129308	Cn1ccc(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C	300000	nM
P05979	CHEMBL350424	CC(C)Cc1ccc(cc1[N+](=O)[O-])C(C)C(=O)O	59000	nM
P05979	CHEMBL147704	NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3cccc(F)c3)C(F)(F)F	1000000	nM
P05979	CHEMBL433813	COc1ccc(CN2C(=O)c3nccnc3C2=O)cc1	117100	nM
P05979	CHEMBL412286	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4ccc(cc34)C(=O)O)C(F)(F)F	100000	nM
P05979	CHEMBL291834	Nc1nc(F)c(F)c(c1F)c2oc(c3ccncc3)c(n2)c4ccc(F)cc4	100000	nM
P05979	CHEMBL112	CC(=O)Nc1ccc(O)cc1	372000	nM
P05979	CHEMBL99167	CS(=O)(=O)c1ccc(cc1)c2ccsc2c3ccc(O)cc3	293000	nM
P05979	CHEMBL280524	CN1CCC(O)(CC1)c2nc(c3ccc(F)cc3)c(s2)c4ccncc4	73000	nM
P05979	CHEMBL280226	CSC1=NC(=O)\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\S1	63000	nM
P05979	CHEMBL29942	COc1ccccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL99374	Cc1ccc(cc1)c2cscc2c3ccc(cc3)S(=O)(=O)C	438000	nM
P05979	CHEMBL363769	Cc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccc(cc3)S(=O)(=O)C)c4ccccc4	100000	nM
P05979	CHEMBL97808	COc1ccc2c(c1)c(CC(=O)Nc3ncc(C)s3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL286282	COc1ccc2c(c1)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4	63000	nM
P05979	CHEMBL358372	NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccccc3)C(F)(F)F	1085000	nM
P05979	CHEMBL99933	CCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL145626	CC(=O)Oc1ccccc1SCCCOc2ccccc2	1000000	nM
P05979	CHEMBL327751	COc1ccc2c(c1)c(CC(=O)Nc3ccc(cc3)C(=O)N)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL189546	CCOc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccc(cc3)N=[N+]=[N-])c4ccccc4	100000	nM
P05979	CHEMBL319766	CCOc1cccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24)c1	53000	nM
P05979	CHEMBL426955	CS(=O)(=O)c1ccc(cc1)\C(=C\c2ccc(F)c(F)c2)\c3ccccc3	100000	nM
P05979	CHEMBL426955	CS(=O)(=O)c1ccc(cc1)\C(=C\c2ccc(F)c(F)c2)\c3ccccc3	100000	nM
P05979	CHEMBL194891	COc1cc(cc(OC)c1OC)C(=O)C#Cc2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL194891	COc1cc(cc(OC)c1OC)C(=O)C#Cc2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL126808	CC(=O)n1c(Br)cc(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C	300000	nM
P05979	CHEMBL194897	Cc1ccc(cc1)C(=O)C#Cc2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL194897	Cc1ccc(cc1)C(=O)C#Cc2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL330162	COc1ccc2c(c1)c(CC(=O)NCc3ccc(cc3)C(=O)C)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL97846	COc1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24)cc1	66000	nM
P05979	CHEMBL369699	CS(=O)(=O)c1ccc(cc1)c2ncccc2c3ccccc3	300000	nM
P05979	CHEMBL204203	CS(=O)(=O)c1ccc(cc1)C#CC(=O)c2cccc3ccccc23	100000	nM
P05979	CHEMBL440382	CCc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccc(cc3)S(=O)(=O)C)c4ccccc4	100000	nM
P05979	CHEMBL29456	COc1c(F)cc(cc1F)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F	63095.73	nM
P05979	CHEMBL281653	COc1ccc2c(c1)c(CC(=O)NC[C@@H](C)O)c(C)n2C(=O)c3ccc(Cl)cc3	52000	nM
P05979	CHEMBL466447	COc1ccc2c(c1)c(CC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3	100000	nM
P05979	CHEMBL466243	CC(C)Cc1ccc(cc1)C(C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]	100000	nM
P05979	CHEMBL364739	CS(=O)(=O)c1ccc(cc1)C#CC(=O)c2cccc(O)c2	100000	nM
P05979	CHEMBL364739	CS(=O)(=O)c1ccc(cc1)C#CC(=O)c2cccc(O)c2	100000	nM
P05979	CHEMBL304416	Nc1nc(N)c(F)c(c1F)c2nc(c3cccc(c3)C(F)(F)F)c([nH]2)c4ccncc4	100000	nM
P05979	CHEMBL271751	Clc1ccc(\C=C/2\S\C(=N\c3nccs3)\NC2=O)cc1	200000	nM
P05979	CHEMBL1258844	COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C3=CC(=O)N(C=C3)C(F)F	100000	nM
P05979	CHEMBL165	Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1	67300	nM
P05979	CHEMBL144913	CSc1ccccc1OC(=O)C(F)(F)F	260000	nM
P05979	CHEMBL145354	CC(=O)Oc1ccccc1SCCCc2ccccc2	1000000	nM
P05979	CHEMBL1240924	CS(=O)(=O)c1ccc(cc1)c2ccccn2	89600	nM
P05979	CHEMBL1242554	[O-][N+](=O)c1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5	100000	nM
P05979	CHEMBL412100	Nc1ccc2[nH]cc(C3CC(=NN3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F)c2c1	100000	nM
P05979	CHEMBL263383	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4cc(ccc34)C#N)C(F)(F)F	100000	nM
P05979	CHEMBL411719	Cc1[nH]c2cc(Cl)ccc2c1C3CC(=NN3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL408971	Nc1ccc2c(c[nH]c2c1)C3CC(=NN3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL359269	NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3cccc(Cl)c3)C(F)(F)F	465000	nM
P05979	CHEMBL433160	COc1ccc2c(c1)c(CC(=O)OCCNC(=O)OC(C)(C)C)c(C)n2C(=O)c3ccc(Cl)cc3	66000	nM
P05979	CHEMBL390117	COc1ccc(cc1OC)C2=Cc3ccccc3CC2	61100	nM
P05979	CHEMBL284015	CN1CCC(O)(CC1)c2cc(c3ccncc3)c([nH]2)c4ccc(F)cc4	100000	nM
P05979	CHEMBL72631	COc1ccc2c(c1)c(CC(=O)N3CCOCC3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL69197	CC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	614800	nM
P05979	CHEMBL69197	CC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	614800	nM
P05979	CHEMBL305060	CS(=O)(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3	490000	nM
P05979	CHEMBL327510	CCN(CC)C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL260059	[O-][N+](=O)c1ccccc1\C=C\2/S\C(=N\c3nc4ccccc4s3)\NC2=O	200000	nM
P05979	CHEMBL464006	CC(=CCC1=C(Oc2c3C=CC(C)(C)Oc3cc(O)c2C1=O)c4ccc(O)cc4O)C	100000	nM
P05979	CHEMBL559421	COc1ccc(cc1)c2oc(CCC(=O)c3ccc(cc3)c4ccccc4)nn2	52300	nM
P05979	CHEMBL1682229	CS(=O)(=O)c1ccc(cc1)c2nnnn2c3ccccc3	3700000	nM
P05979	CHEMBL24415	COc1ccc2c(c1)c(CC(=O)NCCO)c(C)n2C(=O)c3ccc(Cl)cc3	66000	nM
P05979	CHEMBL24415	COc1ccc2c(c1)c(CC(=O)NCCO)c(C)n2C(=O)c3ccc(Cl)cc3	66000	nM
P05979	CHEMBL28216	COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)CC(C)C)c(C)n2C(=O)c3ccc(Cl)cc3	63000	nM
P05979	CHEMBL98903	COc1ccc(cc1)c2cscc2c3ccc(cc3)S(=O)(=O)C	1000000	nM
P05979	CHEMBL98489	CSc1ccc(cc1)c2cscc2c3ccc(cc3)S(=O)(=O)C	93000	nM
P05979	CHEMBL1684393	COC1(CCOCC1)c2cccc(CNc3cc(Cl)ccc3OCc4ccccc4)c2	100000	nM
P05979	CHEMBL282360	COc1ccc(cc1OC)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL357697	CC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3	201500	nM
P05979	CHEMBL194298	COc1cccc(c1)C(=O)C#Cc2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL194298	COc1cccc(c1)C(=O)C#Cc2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL1684395	COC1(CCOCC1)c2cccc(CNc3ccc(cc3OCc4ccccc4)[N+](=O)[O-])c2	88800	nM
P05979	CHEMBL95311	COc1ccc2c(c1)c(CC(=O)NCCc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL66600	Nc1nc(N)c(F)c(c1F)c2nc(c3ccncc3)c([nH]2)c4oc5ccccc5c4	100000	nM
P05979	CHEMBL571617	COc1cc(cc(OC)c1OC)c2oc3c(OC)cc(C=O)cc3c2C	102000	nM
P05979	CHEMBL145364	CSc1ccccc1OC(=O)C	5000000	nM
P05979	CHEMBL95479	COc1ccc2c(c1)c(CC(=O)OCCC3CCCCC3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL71833	CCSC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	386200	nM
P05979	CHEMBL71833	CCSC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	386200	nM
P05979	CHEMBL45331	Cc1cc(c2ccc(NS(=O)(=O)C)cc2)n(n1)c3ccc(Br)cc3	63000	nM
P05979	CHEMBL171416	COc1ccc2cc(ccc2c1)c3ccccc3c4ccc(cc4)S(=O)(=O)C	1000000	nM
P05979	CHEMBL188262	CS(=O)(=O)c1ccc(cc1)C2=C(C=C(OC2=O)c3ccccc3)c4ccccc4	100000	nM
P05979	CHEMBL262852	CS(=O)(=O)c1cccc(c1)C#Cc2ccncc2	100000	nM
P05979	CHEMBL97834	COc1ccc2c(c1)c(CC(=O)N(C)C)c(C)n2C(=O)c3ccc(Cl)cc3	66000	nM
P05979	CHEMBL7162	CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]	213000	nM
P05979	CHEMBL7162	CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]	213200	nM
P05979	CHEMBL7162	CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]	220000	nM
P05979	CHEMBL7162	CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]	205400	nM
P05979	CHEMBL7162	CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]	66000	nM
P05979	CHEMBL261143	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3c[nH]c4ccccc34)C(F)(F)F	100000	nM
P05979	CHEMBL358122	COc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)C)C(F)(F)F	300000	nM
P05979	CHEMBL338097	COc1ccc(cc1)c2cc(nn2c3ccc(c(F)c3)S(=O)(=O)N)C(F)(F)F	170000	nM
P05979	CHEMBL148691	CCSc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F	300000	nM
P05979	CHEMBL406140	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3cccnc3)C(F)(F)F	100000	nM
P05979	CHEMBL342770	Cc1cccc(c1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F	327000	nM
P05979	CHEMBL357044	COc1ccccc1c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F	1150000	nM
P05979	CHEMBL1501298	OC(=O)c1ccc(cc1)N2C(=O)c3cccc4cccc(C2=O)c34	100000	nM
P05979	CHEMBL187384	CCCCCCCC\C(=C(/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C)\c3ccccc3	100000	nM
P05979	CHEMBL365662	Cc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccccc3)c4ccc(cc4)S(=O)(=O)C	100000	nM
P05979	CHEMBL1594493	COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1	110000	nM
P05979	CHEMBL551148	CS(=O)(=O)c1ccc(cc1)c2cc(nc(NCc3ccc(F)cc3)n2)C(F)(F)F	100000	nM
P05979	CHEMBL440798	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)C(=O)O)C(F)F	100000	nM
P05979	CHEMBL353744	CS(=O)(=O)c1ccc(cc1)C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)N=[N+]=[N-]	100000	nM
P05979	CHEMBL24869	COc1ccc2c(c1)c(CC(=O)NCCCCCO)c(C)n2C(=O)c3ccc(Cl)cc3	83000	nM
P05979	CHEMBL261474	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4cc(F)ccc34)C(F)(F)F	100000	nM
P05979	CHEMBL261255	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4cc(Cl)ccc34)C(F)(F)F	100000	nM
P05979	CHEMBL408276	O=C1N\C(=N/c2nccs2)\S/C/1=C\c3ccccc3	200000	nM
P05979	CHEMBL369609	CCCCC(=C(c1ccccc1)c2ccccc2)c3ccc(cc3)S(=O)(=O)OC	100000	nM
P05979	CHEMBL316786	CS(=O)(=O)c1ccc(cc1)c2cc(Sc3ccccc3)sc2c4ccc(F)cc4	300000	nM
P05979	CHEMBL357002	CSc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F	59700	nM
P05979	CHEMBL221960	COc1cc(\C=C\C(=O)O)ccc1OC\C=C(/C)\CCC=C(C)C	54200	nM
P05979	CHEMBL387966	CN(CCOC(=O)c1ccccc1OC(=O)C)[N+](=NOCOC(=O)C)[O-]	100000	nM
P05979	CHEMBL259672	Oc1ccc(\C=C/2\S\C(=N\c3nccs3)\NC2=O)cc1	158000	nM
P05979	CHEMBL259672	Oc1ccc(\C=C/2\S\C(=N\c3nccs3)\NC2=O)cc1	158000	nM
P05979	CHEMBL69853	CC(C)SC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	100000	nM
P05979	CHEMBL69853	CC(C)SC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	100000	nM
P05979	CHEMBL595838	NS(=O)(=O)c1ccc(cc1)C2=C(C(=O)NC2=O)c3ccccc3	127000	nM
P05979	CHEMBL357196	CS(=O)(=O)c1ccc(cc1)C2=C(C=C(OCc3ccc(Cl)cc3)OC2=O)c4ccc(F)cc4	301500	nM
P05979	CHEMBL312097	OC(=O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O	100000	nM
P05979	CHEMBL99199	CCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL1243099	CS(=O)(=O)c1ccc(cc1)C2Oc3ccccc3n4cccc24	177300	nM
P05979	CHEMBL1573436	CC(=O)NC(c1cccs1)c2cc(Br)c3cccnc3c2O	100000	nM
P05979	CHEMBL1221677	CC\C(=C(/c1ccccc1)\c2ccc(O)cc2)\c3ccc(cc3)S(=O)(=O)C	100000	nM
P05979	CHEMBL1689430	COc1ccc2c(c1)c(CC(=O)OCCS(=O)(=O)NO)c(C)n2C(=O)c3ccc(Cl)cc3	77700	nM
P05979	CHEMBL170834	CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccncc3	300000	nM
P05979	CHEMBL360720	CS(=O)(=O)c1ccc(cc1)\C(=C\c2ccc(F)cc2)\c3ccccc3	100000	nM
P05979	CHEMBL360720	CS(=O)(=O)c1ccc(cc1)\C(=C\c2ccc(F)cc2)\c3ccccc3	100000	nM
P05979	CHEMBL127494	Cn1c(Cl)c(Cl)c(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C	650000	nM
P05979	CHEMBL174602	CC(C(=O)O)c1ccc2Oc3nccc(C)c3Cc2c1	100000	nM
P05979	CHEMBL365615	CCCCCCC\C(=C/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL307336	Nc1nc(N)c(F)c(c1F)c2oc(c3ccncc3)c(n2)c4ccc(F)cc4	100000	nM
P05979	CHEMBL144840	CCC(=O)Oc1ccccc1SC	1000000	nM
P05979	CHEMBL1240922	CS(=O)(=O)c1ccc(cc1)C(=O)c2ccc(Br)cc2	150000	nM
P05979	CHEMBL441769	COc1ccc2c(c1)c(CC(=O)NC[C@@H](O)c3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4	56000	nM
P05979	CHEMBL1240889	CS(=O)(=O)c1ccc(cc1)C(=O)c2ccsc2	143700	nM
P05979	CHEMBL24288	COC[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	60000	nM
P05979	CHEMBL195388	CN(C)[N+](=NOCOC(=O)c1ccccc1OC(=O)C)[O-]	100000	nM
P05979	CHEMBL570291	COc1cc(cc(OC)c1OC)[C@H]2OC3=CC(=O)C(=C[C@]3(OC)[C@@H]2C)CC=C	77900	nM
P05979	CHEMBL571196	COc1ccc(cc1OC)[C@@H]2OC3=CC(=O)C(=C[C@@]3(OC)[C@@H]2C)CC=C	88600	nM
P05979	CHEMBL571892	COc1cc(cc(OC)c1OC)[C@H]2[C@H](C)[C@]3(OC)C=C(CC=C)C(=O)[C@]2(OC)[C@@H]3O	72200	nM
P05979	CHEMBL571892	COc1cc(cc(OC)c1OC)[C@H]2[C@H](C)[C@]3(OC)C=C(CC=C)C(=O)[C@]2(OC)[C@@H]3O	152000	nM
P05979	CHEMBL329292	COc1ccc2c(c1)c(CC(=O)Nc3ccc(cc3)c4ccccc4)c(C)n2C(=O)c5ccc(Cl)cc5	66000	nM
P05979	CHEMBL25	CC(=O)Oc1ccccc1C(=O)O	100000	nM
P05979	CHEMBL25	CC(=O)Oc1ccccc1C(=O)O	90000	nM
P05979	CHEMBL25	CC(=O)Oc1ccccc1C(=O)O	1280000	nM
P05979	CHEMBL25	CC(=O)Oc1ccccc1C(=O)O	240000	nM
P05979	CHEMBL28528	Cc1ccc(cc1)c2c(cnn2c3ccc(cc3)S(=O)(=O)N)C#N	100000	nM
P05979	CHEMBL29920	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccccc3)C(F)(F)F	213000	nM
P05979	CHEMBL29920	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccccc3)C(F)(F)F	54954.09	nM
P05979	CHEMBL365274	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC(=C2)c3ccccc3)c4ccncc4	100000	nM
P05979	CHEMBL187654	CCCC\C(=C(/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C)\c3ccc(OC(=O)C)cc3	100000	nM
P05979	CHEMBL353688	CS(=O)(=O)c1ccc(cc1)c2ccccc2c3cccnc3	300000	nM
P05979	CHEMBL22978	CN1CCC(O)(CC1)c2oc(c3ccncc3)c(n2)c4ccc(F)cc4	100000	nM
P05979	CHEMBL95380	COc1ccc2c(c1)c(CC(=O)NCCOC(=O)\C=C\c3ccc(cc3)N(C)C)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL184238	NC(=O)c1cccc(c1)c2cccc(OC(=O)NC3CCCCC3)c2	100000	nM
P05979	CHEMBL95659	COc1ccc2c(c1)c(CC(=O)NNCc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL318410	COc1ccc2c(c1)c(CC(=O)OC3CCCCC3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL16981	CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2noc(NC#N)n2	51000	nM
P05979	CHEMBL97179	CCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL338126	CS(=O)(=O)c1ccc(cc1)c2[nH]c(cc2c3ccc(F)cc3)S(=O)(=O)C	300000	nM
P05979	CHEMBL95625	COc1ccc2c(c1)c(CC(=O)Oc3ccccc3SC)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL99727	CCOC(=O)CCc1cc(c2ccc(cc2)S(=O)(=O)C)c(s1)c3ccc(F)cc3	200000	nM
P05979	CHEMBL254418	O.Cc1onc(c2ccccc2)c1c3ccc(cc3)S(=O)(=O)NO	96200	nM
P05979	CHEMBL204130	CCCCc1ccc(cc1)C(=O)C#Cc2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL216986	COc1cccc(Cn2c3ccc(Cl)cc3c4ccc(cc24)C(C)C(=O)O)c1	100000	nM
P05979	CHEMBL596887	CC(C(=O)O)c1ccccc1C2=CC(=O)N(C=C2)C(F)F	100000	nM
P05979	CHEMBL260125	Oc1ccc(\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O)cc1	200000	nM
P05979	CHEMBL264164	Clc1ccccc1\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O	200000	nM
P05979	CHEMBL143779	CCCSC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	100000	nM
P05979	CHEMBL1221727	CC\C(=C(/c1ccccc1)\c2ccc(OC)cc2)\c3ccc(cc3)S(=O)(=O)C	100000	nM
P05979	CHEMBL1221728	CCCC\C(=C(/c1ccccc1)\c2ccc(OC)cc2)\c3ccc(cc3)S(=O)(=O)C	100000	nM
P05979	CHEMBL1221678	CCCC\C(=C(/c1ccccc1)\c2ccc(O)cc2)\c3ccc(cc3)S(=O)(=O)C	100000	nM
P05979	CHEMBL356300	CC(C)OC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3	560000	nM
P05979	CHEMBL356980	NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccccc3F)C(F)(F)F	500000	nM
P05979	CHEMBL16855	CON(C)C1=NC(=O)\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\S1	51000	nM
P05979	CHEMBL1243065	Cn1cc(C(=O)c2ccc(cc2)S(=O)(=O)C)c3ccccc13	76400	nM
P05979	CHEMBL259386	COc1cc(\C=C\C)cc2[C@@H](C)[C@@H](Oc12)c3ccc4OCOc4c3	289000	nM
P05979	CHEMBL409268	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4ccc(Cl)cc34)C(F)(F)F	100000	nM
P05979	CHEMBL265200	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4ccc(cc34)[N+](=O)[O-])C(F)(F)F	100000	nM
P05979	CHEMBL513185	COc1ccc(cc1)c2cn(nn2)c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL468367	NS(=O)(=O)c1ccc(cc1)n2cc(nn2)c3ccc(F)cc3	100000	nM
P05979	CHEMBL170522	CS(=O)(=O)c1ccc(cc1)c2ccccc2c3cncnc3	300000	nM
P05979	CHEMBL99517	Cc1ccc(cc1)c2sccc2c3ccc(cc3)S(=O)(=O)C	1000000	nM
P05979	CHEMBL145180	CC(=O)Oc1ccccc1SCCCCCCI	70000	nM
P05979	CHEMBL97042	COc1ccc2c(c1)c(CC(=O)N(C)CCc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL265078	COc1ccc2c(c1)c(CC(=O)Nc3ccc(Cl)cc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL146009	CC(C)(C)OC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3	68500	nM
P05979	CHEMBL434350	CS(=O)(=O)c1ccc(cc1)C2=C(C=C(OC2=O)c3ccc(cc3)[N+](=O)[O-])c4ccccc4	100000	nM
P05979	CHEMBL186359	CS(=O)(=O)c1ccc(cc1)C2=C(C=C(OC2=O)c3ccc(F)cc3)c4ccccc4	100000	nM
P05979	CHEMBL98514	COc1ccc2c(c1)c(CC(=O)Nc3cncc(Cl)c3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL95988	CCCCC#CCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL173169	CS(=O)(=O)c1ccc(cc1)c2cc(O)ccc2c3ccccc3	404000	nM
P05979	CHEMBL25725	COc1ccc2c(c1)c(CC(=O)NCCCO)c(C)n2C(=O)c3ccc(Cl)cc3	64000	nM
P05979	CHEMBL192081	COc1ccc2c(c1)c(CC(=O)OCON=[N+]([O-])N3CCCC3)c(C)n2C(=O)c4ccc(Cl)cc4	100000	nM
P05979	CHEMBL162029	CC(C(=O)N)c1ccc(cc1)c2ccccc2	64500	nM
P05979	CHEMBL316866	COc1ccc(OC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24)cc1	66000	nM
P05979	CHEMBL281504	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)C#N)C(F)F	100000	nM
P05979	CHEMBL100250	CS(=O)(=O)c1ccc(cc1)c2ccsc2c3ccccc3	1000000	nM
P05979	CHEMBL319999	COc1ccc2c(c1)c(CC(=O)NCCc3ccccc3)c(C)n2Cc4ccc(Br)cc4	66000	nM
P05979	CHEMBL318495	CNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL129861	Cn1c(Br)cc(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C	515670	nM
P05979	CHEMBL63135	Fc1ccc(cc1)c2nc[nH]c2c3ccncc3	100000	nM
P05979	CHEMBL27733	CN(C)c1ccccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL319099	CS(=O)(=O)c1ccc(cc1)c2cscc2c3ccc(cc3)S(=O)(=O)C	300000	nM
P05979	CHEMBL328161	COc1ccc2c(c1)c(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL126967	CS(=O)(=O)c1ccc(cc1)c2[nH]c(I)c(I)c2c3ccc(F)cc3	127000	nM
P05979	CHEMBL355677	CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccccn3	300000	nM
P05979	CHEMBL434725	CC(C)Cc1ccc(cc1)C(C)C(=O)OCON=[N+]([O-])N(C)C	100000	nM
P05979	CHEMBL426767	CS(=O)(=O)c1ccc(cc1)c2cc(ccc2c3ccccc3)C(=O)O	232000	nM
P05979	CHEMBL1684387	COC1(CCOCC1)c2cccc(CN(c3ccc(Cl)cc3OCc4ccccc4)S(=O)(=O)C)c2	100000	nM
P05979	CHEMBL279308	CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nsc(O)n2	83000	nM
P05979	CHEMBL421570	COc1ccc2c(c1)c(CC(=O)Nc3ccc(F)cc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL1684391	COC1(CCOCC1)c2cccc(CNc3ccccc3OCc4ccccc4)c2	100000	nM
P05979	CHEMBL172194	CN1CCC(=CC1)c2ccccc2c3ccc(cc3)S(=O)(=O)C	300000	nM
P05979	CHEMBL319306	CS(=O)(=O)c1ccc(cc1)c2cscc2c3ccc(F)cc3	674000	nM
P05979	CHEMBL129761	CSc1ccc(cc1)c2nc3CCCn3c2c4ccncc4	100000	nM
P05979	CHEMBL30091	NS(=O)(=O)c1ccc(cc1)n2nc(cc2C3=CCCCC3)C(F)(F)F	100000	nM
P05979	CHEMBL363052	COc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccc(cc3)N=[N+]=[N-])c4ccccc4	100000	nM
P05979	CHEMBL45387	Cc1cc(c2ccc(NS(=O)(=O)C)cc2)n(n1)c3ccc(Cl)cc3	100000	nM
P05979	CHEMBL144281	CSc1ccccc1OC(=O)CCl	390000	nM
P05979	CHEMBL29847	Cc1oc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F	100000	nM
P05979	CHEMBL317321	CCn1nccc1NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24	66000	nM
P05979	CHEMBL318053	CCC#CCC(C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL97562	COc1ccc2c(c1)c(CC(=O)Oc3ccc(NC(=O)C)cc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL141113	C[S+]([O-])c1ccc(cc1)C(Nc2nccs2)C(=O)c3ccc(F)cc3	500000	nM
P05979	CHEMBL186965	Oc1ccccc1NC(=O)c2ccccc2Cl	69000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	78400	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	78400	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	81700	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	117000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	115000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	115900	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	115900	nM
P05979	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL99828	Cc1cc(c2ccc(cc2)S(=O)(=O)C)c(s1)c3ccc(F)cc3	80000	nM
P05979	CHEMBL97130	COc1ccc2c(c1)c(CC(=O)NCCc3ccccc3)cn2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL173186	COC(=O)c1ccc(c2ccccc2)c(c1)c3ccc(cc3)S(=O)(=O)C	300000	nM
P05979	CHEMBL1684386	COC1(CCOCC1)c2cccc(CN(c3ccccc3OCc4ccccc4)S(=O)(=O)C)c2	100000	nM
P05979	CHEMBL305282	CC(C)C1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	341500	nM
P05979	CHEMBL305282	CC(C)C1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	341500	nM
P05979	CHEMBL95572	COc1ccc2c(c1)c(CC(=O)NCc3ccccc3C)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL361848	CS(=O)(=O)c1ccc(C=C(c2ccc(Cl)cc2)c3ccc(Cl)cc3)cc1	100000	nM
P05979	CHEMBL361848	CS(=O)(=O)c1ccc(C=C(c2ccc(Cl)cc2)c3ccc(Cl)cc3)cc1	100000	nM
P05979	CHEMBL1684396	COC1(CCOCC1)c2cccc(COc3ccccc3OCc4ccccc4)c2	100000	nM
P05979	CHEMBL24837	COc1ccc2c(c1)c(CC(=O)NCCCCO)c(C)n2C(=O)c3ccc(Cl)cc3	86000	nM
P05979	CHEMBL63442	Fc1ccc(cc1)c2[nH]c(nc2c3ccncc3)c4c(F)c(F)nc(F)c4F	100000	nM
P05979	CHEMBL176382	CCCCCCCCCC(=C(c1ccccc1)c2ccccc2)c3ccc(cc3)S(=O)(=O)OC	100000	nM
P05979	CHEMBL170780	CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccc4ccccc4n3	1000000	nM
P05979	CHEMBL287646	COc1c(Cl)cc(cc1Cl)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F	77624.71	nM
P05979	CHEMBL28664	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)[N+](=O)[O-])C(F)(F)F	100000	nM
P05979	CHEMBL29136	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C#N	100000	nM
P05979	CHEMBL14112	Fc1ccc(cc1)c2ncn(CCCN3CCOCC3)c2c4ccncc4	100000	nM
P05979	CHEMBL1689432	ONS(=O)(=O)CCOC(=O)Cc1ccccc1	100000	nM
P05979	CHEMBL187529	CS(=O)(=O)c1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccccc3)c4ccccc4	100000	nM
P05979	CHEMBL320140	COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc3ccc(Br)cc3	66000	nM
P05979	CHEMBL283425	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccncc3)C(F)(F)F	208929.61	nM
P05979	CHEMBL101503	CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccccc3	1000000	nM
P05979	CHEMBL101503	CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccccc3	1000000	nM
P05979	CHEMBL146465	CC(=O)NCc1cc(ccc1S(=O)(=O)N)n2nc(cc2c3ccc(Cl)cc3)C(F)(F)F	100000	nM
P05979	CHEMBL95640	COc1ccc2c(c1)c(CC(=O)OCCc3ccccc3)cn2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL1702044	Fc1ccc(CNC(=O)CN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL1682233	CS(=O)(=O)c1ccc(cc1)c2nnnn2c3ccc(Cl)cc3	500000	nM
P05979	CHEMBL577482	CS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(CC(=O)O)cc3)C(F)(F)F	65200	nM
P05979	CHEMBL1242275	o1c(nnc1c2cn(nc2c3ccccc3)c4ccccc4)c5ccccc5	100000	nM
P05979	CHEMBL1240925	CS(=O)(=O)c1ccc(Nc2ccc(F)cc2)cc1	140700	nM
P05979	CHEMBL343037	CCSC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3	100000	nM
P05979	CHEMBL392114	CC(=O)Nc1ccc(cc1)\C(=C/c2ccc(cc2)S(=O)(=O)C)\C(=O)OCON=[N+]([O-])N3CCCC3	100000	nM
P05979	CHEMBL316484	COc1ccc2c(c1)c(CC(=O)OCCc3ccccc3)c(C)n2Cc4ccc(Br)cc4	66000	nM
P05979	CHEMBL205080	COc1ccc(C(=O)C#Cc2ccc(cc2)S(=O)(=O)C)c3ccccc13	100000	nM
P05979	CHEMBL204865	CS(=O)(=O)c1ccc(cc1)C#CC(=O)c2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL578403	COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c3ccc4OCOc4c3	366000	nM
P05979	CHEMBL584539	COc1cc(cc(OC)c1OC)[C@@H]2[C@@H](C)[C@]3(OC)C=C(CC=C)C(=O)C2C3=O	356000	nM
P05979	CHEMBL409502	O=C1N\C(=N\c2nsc3ccccc23)\S/C/1=C\c4ccccc4	200000	nM
P05979	CHEMBL260886	COc1cc(\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O)ccc1O	200000	nM
P05979	CHEMBL261267	[O-][N+](=O)c1cccc(\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O)c1	125900	nM
P05979	CHEMBL571199	COc1cc(CC=C)cc2cc(oc12)c3ccc4OCOc4c3	349000	nM
P05979	CHEMBL500062	CC(=O)OCON=[N+]([O-])N1CCC[C@H]1C(=O)OCc2ccc(cc2)c3cc(nn3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL448156	COc1ccc2c(c1)c(CC(=O)OCON=[N+]([O-])N(C)C)c(C)n2C(=O)c3ccc(Cl)cc3	100000	nM
P05979	CHEMBL466861	CC(=O)OCON=[N+]([O-])N1CCC[C@H]1COC(=O)c2ccccc2OC(=O)C	100000	nM
P05979	CHEMBL466862	COc1ccc2c(c1)c(CC(=O)OC[C@@H]3CCCN3[N+](=NOCOC(=O)C)[O-])c(C)n2C(=O)c4ccc(Cl)cc4	100000	nM
P05979	CHEMBL466863	CC(C)Cc1ccc(cc1)C(C)C(=O)OC[C@@H]2CCCN2[N+](=NOCOC(=O)C)[O-]	100000	nM
P05979	CHEMBL344540	COc1ccc(cc1)c2cc(nn2c3ccc(c(CNC(=O)C)c3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL365624	CCc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccccc3)c4ccc(cc4)S(=O)(=O)C	100000	nM
P05979	CHEMBL94944	COc1ccc2c(c1)c(CC(=O)Nc3cnccn3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL272443	[O-][N+](=O)c1cccc(\C=C/2\S\C(=N\c3nccs3)\NC2=O)c1	200000	nM
P05979	CHEMBL258988	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4cc(ccc34)[N+](=O)[O-])C(F)(F)F	100000	nM
P05979	CHEMBL411032	COc1cccc2[nH]cc(C3CC(=NN3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F)c12	100000	nM
P05979	CHEMBL258735	COc1ccc(\C=C\2/S\C(=N\c3nc4ccccc4s3)\NC2=O)cc1	200500	nM
P05979	CHEMBL558110	COc1cc(cc2OCOc12)[C@@H]3[C@@H](C)[C@@]4(OC)C=C(CC=C)[C@H](O)[C@]3(OC)C4=O	188000	nM
P05979	CHEMBL1221729	CCCC\C(=C(/c1ccccc1)\c2ccc(OCCF)cc2)\c3ccc(cc3)S(=O)(=O)C	100000	nM
P05979	CHEMBL1221795	CS(=O)(=O)c1ccc(cc1)C(=C(c2ccccc2)c3ccccc3)CCF	100000	nM
P05979	CHEMBL1242365	Brc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5	100000	nM
P05979	CHEMBL343912	NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccccc3Cl)C(F)(F)F	512000	nM
P05979	CHEMBL71200	CCOC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	281500	nM
P05979	CHEMBL71200	CCOC1=CC(=C(C(=O)O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3	281500	nM
P05979	CHEMBL187481	CCC\C(=C/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL44319	CS(=O)(=O)Nc1ccc(cc1)c2cc(nn2c3ccccc3)C(F)(F)F	85300	nM
P05979	CHEMBL1631410	CCCCCCCCCCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]5O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]4[C@@H]3O)[C@H](OC(=O)CCCCCCCCCCC)[C@@H]2O)[C@H](OC(=O)\C=C\c6ccccc6)[C@@H]1O	132000	nM
P05979	CHEMBL1642992	Oc1ncc(cc1Cl)C(=O)Nc2ccc(Br)cc2	74000	nM
P05979	CHEMBL24957	CC[C@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	59000	nM
P05979	CHEMBL24957	CC[C@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	59000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	500000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	500000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	100000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	500000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	500000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	500000	nM
P05979	CHEMBL122	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	500000	nM
P05979	CHEMBL63983	Nc1nc(N)c(F)c(c1F)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4	100000	nM
P05979	CHEMBL146247	CCOc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F	135000	nM
P05979	CHEMBL179204	Cc1ccc(cc1)C(=Cc2ccc(cc2)S(=O)(=O)C)c3ccc(C)cc3	100000	nM
P05979	CHEMBL179204	Cc1ccc(cc1)C(=Cc2ccc(cc2)S(=O)(=O)C)c3ccc(C)cc3	100000	nM
P05979	CHEMBL365288	CC\C(=C/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL128638	Clc1ccc(cc1Cl)c2ncn(CCCN3CCOCC3)c2c4ccncc4	100000	nM
P05979	CHEMBL147607	NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccc(Br)cc3)C(F)(F)F	230000	nM
P05979	CHEMBL1682230	Cc1ccc(cc1)n2nnnc2c3ccc(cc3)S(=O)(=O)C	8100000	nM
P05979	CHEMBL95508	COC(=O)CNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL865	Cc1onc(c2ccccc2)c1c3ccc(cc3)S(=O)(=O)N	157200	nM
P05979	CHEMBL101	CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3	384000	nM
P05979	CHEMBL283038	Cc1ccc(c(C)c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	81283.05	nM
P05979	CHEMBL432260	COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)CCSC)c(C)n2C(=O)c3ccc(Cl)cc3	51000	nM
P05979	CHEMBL432260	COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)CCSC)c(C)n2C(=O)c3ccc(Cl)cc3	51000	nM
P05979	CHEMBL96741	Fc1ccc(cc1)c2ncn(CC3CC3)c2c4ccncc4	51000	nM
P05979	CHEMBL356283	NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccc(F)cc3)C(F)(F)F	500000	nM
P05979	CHEMBL1643020	COc1ccc(NC(=O)c2ccc(O)nc2)cc1	86000	nM
P05979	CHEMBL178356	Cc1ccc(\C=C(/c2ccccc2)\c3ccc(cc3)S(=O)(=O)C)cc1	100000	nM
P05979	CHEMBL178356	Cc1ccc(\C=C(/c2ccccc2)\c3ccc(cc3)S(=O)(=O)C)cc1	100000	nM
P05979	CHEMBL277721	CC(C)(C)c1cc(\C=C\2/SC(=NC2=O)NO)cc(c1O)C(C)(C)C	52000	nM
P05979	CHEMBL281145	CN1CCC(O)(CC1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4	100000	nM
P05979	CHEMBL1684394	COC1(CCOCC1)c2cccc(CNc3cc(C)ccc3OCc4ccccc4)c2	100000	nM
P05979	CHEMBL1684398	COC1(CCOCC1)c2cccc(COc3ccc(Br)cc3OCc4ccccc4)c2	100000	nM
P05979	CHEMBL29075	NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccccn3)C(F)(F)F	93325.43	nM
P05979	CHEMBL177972	CS(=O)(=O)c1ccc(cc1)C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL549802	COc1ccc(cc1OC)c2oc(CCC(=O)c3ccc(cc3)c4ccccc4)nn2	54100	nM
P05979	CHEMBL583036	COc1ccc(cc1OC)[C@@H]2[C@@H](C)[C@]3(OC)C=C(CC=C)C(=O)[C@@H]2[C@H]3O	94900	nM
P05979	CHEMBL259881	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4c(cccc34)[N+](=O)[O-])C(F)(F)F	100000	nM
P05979	CHEMBL410649	[O-][N+](=O)c1ccc(\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O)cc1	56200	nM
P05979	CHEMBL405972	Clc1cccc(\C=C/2\S\C(=N\c3nccs3)\NC2=O)c1	125000	nM
P05979	CHEMBL405972	Clc1cccc(\C=C/2\S\C(=N\c3nccs3)\NC2=O)c1	125000	nM
P05979	CHEMBL571195	COc1ccc(cc1OC)[C@@H]2Oc3c(OC)cc(\C=C\C)cc3[C@H]2C	223000	nM
P05979	CHEMBL1094412	O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c2ccccc2)c3ccccc3)c4ccccc4	63990	nM
P05979	CHEMBL229304	C1Oc2ccc(cc2O1)C3=Cc4ccccc4CC3	100000	nM
P05979	CHEMBL272444	COc1ccc(\C=C/2\S\C(=N\c3nccs3)\NC2=O)cc1	200000	nM
P05979	CHEMBL412054	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4ccc(cc34)C#N)C(F)(F)F	100000	nM
P05979	CHEMBL261067	NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3c[nH]c4cc(Br)ccc34)C(F)(F)F	100000	nM
P05979	CHEMBL1257225	COc1ccc2c(c1)c(CC(=O)O)c(C)n2CC3=CCC(=O)N(C3)C(F)F	100000	nM
P05979	CHEMBL1240963	CS(=O)(=O)c1ccc(cc1)n2cccc2	86000	nM
P05979	CHEMBL1240964	CS(=O)(=O)c1ccc(cc1)n2ccc3ccccc23	78700	nM
P05979	CHEMBL1242364	Fc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5	100000	nM
P05979	CHEMBL1240537	CS(=O)(=O)c1ccc(cc1)C(=O)c2cocc2	150000	nM
P05979	CHEMBL1240888	CS(=O)(=O)c1ccc(cc1)C(=O)c2cccs2	231200	nM
P05979	CHEMBL374170	COc1ccc(cc1)C2=C(COC2=O)c3ccc(NS(=O)(=O)C)cc3	100000	nM
P05979	CHEMBL520850	NS(=O)(=O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O	100000	nM
P05979	CHEMBL463526	COc1cc(ccc1O)[C@H]2Oc3c(OC)cc(\C=C\C)cc3[C@@H]2C	312000	nM
P05979	CHEMBL458708	CCC(C)C(=O)c1c(O)cc(O)cc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O	131300	nM
P05979	CHEMBL259731	COc1cc(ccc1O)[C@@H]2Oc3c(OC)cc(\C=C\C)cc3[C@H]2C	245000	nM
P05979	CHEMBL1242460	COc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5	100000	nM
P05979	CHEMBL1258960	COc1ccc2c(c1)c(CC(=O)O)c(C)n2CC3=CC(=O)N(C=C3)C(F)F	100000	nM
P05979	CHEMBL8783	Cc1cc(C)cc(c1)N2C(=O)Cc3ccccc3C2=O	95200	nM
P05979	CHEMBL407568	Cc1cccnc1C#Cc2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL30084	CNc1ccc(cc1Cl)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	77624.71	nM
P05979	CHEMBL328864	CCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL188933	CSc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccc(cc3)S(=O)(=O)C)c4ccc(F)cc4	100000	nM
P05979	CHEMBL144391	CS(=O)(=O)c1ccc(cc1)C2=C(C=C(OCc3ccc(Cl)cc3)OC2=O)c4ccccc4	50700	nM
P05979	CHEMBL1684397	COC1(CCOCC1)c2cccc(COc3ccc(Cl)cc3OCc4ccccc4)c2	100000	nM
P05979	CHEMBL159210	CC(C(=O)N(C)C)c1ccc(c(F)c1)c2ccccc2	215000	nM
P05979	CHEMBL29842	COc1c(c2ccccc2)n(nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL175028	CCCCCCCCCCCCCCCC(=C(c1ccccc1)c2ccccc2)c3ccc(cc3)S(=O)(=O)OC	100000	nM
P05979	CHEMBL373231	CC(=O)Oc1ccccc1C(=O)OCON=[N+]([O-])N2CCCC2	100000	nM
P05979	CHEMBL280573	Cc1cnn(c2ccc(cc2)S(=O)(=O)N)c1c3ccccc3	100000	nM
P05979	CHEMBL95643	COc1ccc2c(c1)c(CC(=O)OCCc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL97411	CCCCCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL127120	CS(=O)(=O)c1ccc(cc1)c2[nH]c(I)cc2c3ccc(F)cc3	300000	nM
P05979	CHEMBL320006	CCOC(=O)\C=C\c1cc(c2ccc(cc2)S(=O)(=O)C)c(s1)c3ccc(F)cc3	100000	nM
P05979	CHEMBL1689435	CCS(=O)(=O)NO	100000	nM
P05979	CHEMBL100091	CCCCOCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL330194	CCCCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL187391	CCCCCC\C(=C(/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C)\c3ccccc3	100000	nM
P05979	CHEMBL46761	Cc1cn(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(Cl)cc3	100000	nM
P05979	CHEMBL366422	CC(=O)NS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccc(cc3)S(=O)(=O)C	100000	nM
P05979	CHEMBL29492	Cc1cc(c2ccccc2)n(n1)c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL1682231	COc1ccc(cc1)n2nnnc2c3ccc(cc3)S(=O)(=O)C	420000	nM
P05979	CHEMBL1682232	CS(=O)(=O)c1ccc(cc1)c2nnnn2c3ccc(F)cc3	640000	nM
P05979	CHEMBL171417	CS(=O)(=O)c1ccc(cc1)c2cc3ccccc3cc2c4ccccc4	300000	nM
P05979	CHEMBL368207	CCCc1ccc2Cc3cc(ccc3Oc2n1)C(C)C(=O)O	100000	nM
P05979	CHEMBL101459	CS(=O)(=O)c1ccc(cc1)c2cc(CC#N)sc2c3ccc(F)cc3	300000	nM
P05979	CHEMBL127642	CS(=O)(=O)c1ccc(cc1)c2[nH]c(cc2c3ccc(F)cc3)C(=O)C(F)(F)F	580000	nM
P05979	CHEMBL192558	CC(C)Cc1ccc(cc1)C(C)C(=O)OCON=[N+]([O-])N2CCCC2	100000	nM
P05979	CHEMBL187145	CCCCCC\C(=C/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C	100000	nM
P05979	CHEMBL96011	COc1ccc2c(c1)c(CC(=O)Nc3ccc(SC)cc3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL95052	COc1ccc2c(c1)c(CC(=O)N3CCCCC3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL16826	CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(N=C(N)N)s2	88000	nM
P05979	CHEMBL358097	CCCSc1ccccc1OC(=O)C	66000	nM
P05979	CHEMBL145220	CC(=O)Oc1ccccc1SCc2ccccc2	400000	nM
P05979	CHEMBL342317	CCSc1ccccc1OC(=O)C	375000	nM
P05979	CHEMBL339301	CS(=O)(=O)c1ccc(cc1)c2[nH]ccc2c3ccc(F)cc3	373000	nM
P05979	CHEMBL340717	CS(=O)(=O)c1ccc(cc1)c2[nH]c(Cl)cc2c3ccc(F)cc3	94000	nM
P05979	CHEMBL527577	CC(C)(C)C1=CC(=NNC(=O)c2ccncc2)C=C(C1=O)C(C)(C)C	55700	nM
P05979	CHEMBL1243066	CS(=O)(=O)c1ccc(cc1)C(=O)c2cccn2c3ccccc3F	183000	nM
P05979	CHEMBL360310	CS(=O)(=O)c1ccc(cc1)\C(=C\c2ccc(Cl)cc2)\c3ccccc3	100000	nM
P05979	CHEMBL360310	CS(=O)(=O)c1ccc(cc1)\C(=C\c2ccc(Cl)cc2)\c3ccccc3	100000	nM
P05979	CHEMBL1242276	Clc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5	100000	nM
P05979	CHEMBL1095380	OC(=O)c1cc(\C=C\c2ccc(O)cc2)ccc1O	421200	nM
P05979	CHEMBL1240923	CS(=O)(=O)c1ccc(cc1)C(=O)c2ccc(F)cc2	106500	nM
P05979	CHEMBL98311	CS(=O)(=O)c1ccc(cc1)c2cc(sc2c3ccc(F)cc3)S(=O)(=O)C	300000	nM
P05979	CHEMBL330381	COc1ccc2c(c1)c(CC(=O)Nc3cccc(SC)c3)c(C)n2C(=O)c4ccc(Cl)cc4	66000	nM
P05979	CHEMBL229737	CC(C)Cc1ccc(cc1)C(C)C(=O)OCCN(C)[N+](=NOCOC(=O)C)[O-]	100000	nM
P05979	CHEMBL229738	COc1ccc2c(c1)c(CC(=O)OCCN(C)[N+](=NOCOC(=O)C)[O-])c(C)n2C(=O)c3ccc(Cl)cc3	100000	nM
P05979	CHEMBL1242459	Cc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5	100000	nM
P05979	CHEMBL186821	COc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccncc3)c4ccc(cc4)S(=O)(=O)C	100000	nM
P05979	CHEMBL571616	COc1cc(C=O)cc2c(C)c(oc12)c3ccc4OCOc4c3	123000	nM
P05979	CHEMBL585724	CO[C@@]12C=C(CC=C)C(=O)[C@H]([C@H]1O)[C@@H]([C@H]2C)c3ccc4OCOc4c3	88600	nM
P05979	CHEMBL263909	Clc1ccc(\C=C\2/S\C(=N/c3nsc4ccccc34)\NC2=O)cc1	52400	nM
P05979	CHEMBL240076	CCN(CC)[N+](=NOCOC(=O)\C(=C\c1ccc(cc1)S(=O)(=O)C)\c2ccc(NC(=O)C)cc2)[O-]	100000	nM
P05979	CHEMBL521440	CS(=O)(=O)c1ccccc1C#CC2=CN(C(F)F)C(=O)C=C2	100000	nM
P05979	CHEMBL585912	COc1cc(cc(OC)c1OC)[C@@H]2[C@@H](C)[C@]3(OC)C=C(CC=C)[C@@H](O)C2C3=O	216000	nM
P05979	CHEMBL179723	CS(=O)(=O)c1ccc(C=C(c2ccc(F)cc2)c3ccc(F)cc3)cc1	100000	nM
P05979	CHEMBL179723	CS(=O)(=O)c1ccc(C=C(c2ccc(F)cc2)c3ccc(F)cc3)cc1	100000	nM
P05979	CHEMBL262851	CS(=O)(=O)c1cccc(c1)C#Cc2cccnc2	100000	nM
P05979	CHEMBL412315	Nc1cccc2c(c[nH]c12)C3CC(=NN3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL281457	COc1ccc2c(c1)c(CC(=O)NCCCCCCO)c(C)n2C(=O)c3ccc(Cl)cc3	63000	nM
P05979	CHEMBL414193	Clc1ccccc1\C=C/2\S\C(=N\c3nccs3)\NC2=O	200000	nM
P05979	CHEMBL484814	CN1C(=O)OC(=C1c2ccccc2)c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL1684389	COC1(CCOCC1)c2cccc(CN(c3cc(C)ccc3OCc4ccccc4)S(=O)(=O)C)c2	100000	nM
P05979	CHEMBL1301905	COc1ccc(NC(=O)CN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL467905	CC(=O)Oc1ccccc1C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]	100000	nM
P05979	CHEMBL1835483	CC(=O)Oc1cc(F)ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F	100000	nM
P05979	CHEMBL1797512	CC(=O)OCON=[N+]([O-])N1CCC[C@@H]1C(=O)OCc2ccc(cc2)C3=C(COC3=O)c4ccc(cc4)S(=O)(=O)C	100000	nM
P05979	CHEMBL1770601	ClC1=C(Cl)C2(Cl)C3C(C(=O)N(C3=O)c4cc(Cl)c(Cl)c(Cl)c4)C1(Cl)C2(Cl)Cl	100000	nM
P05979	CHEMBL1770596	Clc1cc(cc(Cl)c1Cl)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O	100000	nM
P05979	CHEMBL1770597	COc1cc(cc(OC)c1OC)N2C(=O)c3cccc4cccc(C2=O)c34	100000	nM
P05979	CHEMBL1770587	COc1cc(cc(OC)c1OC)N2C(=O)c3ccc(C)cc3C2=O	100000	nM
P05979	CHEMBL1770598	COc1cc(cc(OC)c1OC)N2C(=O)c3ccccc3c4ccccc4C2=O	100000	nM
P05979	CHEMBL1770591	COc1cc(cc(OC)c1OC)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O	100000	nM
P05979	CHEMBL1770580	Clc1cc(cc(Cl)c1Cl)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O	100000	nM
P05979	CHEMBL1770582	Clc1cc(cc(Cl)c1Cl)N2C(=O)c3nccnc3C2=O	100000	nM
P05979	CHEMBL1770156	Clc1cc(cc(Cl)c1Cl)N2C(=O)c3cccc4cccc(C2=O)c34	100000	nM
P05979	CHEMBL1770592	Clc1cc2C(=O)N(C(=O)c2cc1Cl)c3cc(Cl)c(Cl)c(Cl)c3	100000	nM
P05979	CHEMBL1770595	COc1cc(cc(OC)c1OC)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O	100000	nM
P05979	CHEMBL1770583	COc1cc(cc(OC)c1OC)N2C(=O)c3ccccc3C2=O	100000	nM
P05979	CHEMBL1770579	COc1cc(cc(OC)c1OC)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O	100000	nM
P05979	CHEMBL1835472	CC(=O)Oc1ccccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL1835479	CC(=O)Oc1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F	100000	nM
P05979	CHEMBL1770599	Clc1cc(cc(Cl)c1Cl)N2C(=O)c3ccccc3c4ccccc4C2=O	100000	nM
P05979	CHEMBL1770584	Clc1cc(cc(Cl)c1Cl)N2C(=O)c3ccccc3C2=O	100000	nM
P05979	CHEMBL1770593	COc1cc(cc(OC)c1OC)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O	100000	nM
P05979	CHEMBL1835056	CC(=O)Oc1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL1835055	CC(=O)Oc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL1835481	CC(=O)Oc1cc(C)ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F	100000	nM
P05979	CHEMBL1835476	CC(=O)Oc1cc(ccc1C)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL1835474	CC(=O)Oc1cc(C)ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL1835478	CC(=O)Oc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F	80300	nM
P05979	CHEMBL1835475	Cc1ccc(cc1O)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	100000	nM
P05979	CHEMBL1770594	Clc1cc(cc(Cl)c1Cl)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O	100000	nM
P05979	CHEMBL1770589	COc1cc(cc(OC)c1OC)N2C(=O)c3ccc(cc3C2=O)C(C)(C)C	100000	nM
P05979	CHEMBL1770600	COc1cc(cc(OC)c1OC)N2C(=O)C3C(C2=O)C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl	100000	nM
P05979	CHEMBL1770590	CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c3cc(Cl)c(Cl)c(Cl)c3	100000	nM
P05979	CHEMBL1770588	Cc1ccc2C(=O)N(C(=O)c2c1)c3cc(Cl)c(Cl)c(Cl)c3	100000	nM
P05979	CHEMBL1770578	Clc1cc(cc(Cl)c1Cl)N2C(=O)CCC2=O	100000	nM
P05979	CHEMBL1770577	COc1cc(cc(OC)c1OC)N2C(=O)CCC2=O	100000	nM
P05979	CHEMBL1770581	COc1cc(cc(OC)c1OC)N2C(=O)c3nccnc3C2=O	100000	nM
P05979	CHEMBL1946749	OC(=O)Cc1c(c2ccccc2)n(C(=O)c3ccc(Cl)cc3)c4ccccc14	400000	nM
P05979	CHEMBL1926827	COc1cc(\C=C\2/S\C(=N/c3nccs3)\NC2=O)cc(OC)c1O	200000	nM
P05979	CHEMBL1946565	CCc1c(CC(=O)O)c2ccccc2n1C(=O)c3ccc(Cl)cc3	400000	nM
P05979	CHEMBL1926825	COc1cc(\C=C\2/S\C(=N/c3nc4ccccc4s3)\NC2=O)cc(OC)c1O	200000	nM
P05979	CHEMBL1926826	COc1cc(\C=C\2/S\C(=N\c3nsc4ccccc34)\NC2=O)cc(OC)c1O	200000	nM
P05979	CHEMBL1956382	Cc1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL1956387	NS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(cc3)[N+](=O)[O-]	100000	nM
P05979	CHEMBL1957879	FC(F)(F)c1ccc(cc1)\N=C\c2c[nH]c3ccccc23	78200	nM
P05979	CHEMBL1957878	Cc1ccc(cc1)\N=C\c2c[nH]c3ccccc23	62300	nM
P05979	CHEMBL1956388	CN(C)c1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL1956395	CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(cc3)[N+](=O)[O-]	100000	nM
P05979	CHEMBL1956391	COc1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)C	100000	nM
P05979	CHEMBL1956396	CN(C)c1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)C	100000	nM
P05979	CHEMBL1957877	Fc1ccc(cc1)\N=C\c2c[nH]c3ccccc23	68400	nM
P05979	CHEMBL1957885	FC(F)(F)c1ccc(cc1)\N=C\c2cn(C(=O)c3ccccc3)c4ccccc24	100000	nM
P05979	CHEMBL1957569	OC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(F)cc3)C(=O)O	140000	nM
P05979	CHEMBL1957884	Cc1ccc(cc1)\N=C\c2cn(C(=O)c3ccccc3)c4ccccc24	80200	nM
P05979	CHEMBL1956385	NS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(Cl)cc3	100000	nM
P05979	CHEMBL1956389	CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccccc3	100000	nM
P05979	CHEMBL1956393	CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(Cl)cc3	100000	nM
P05979	CHEMBL1956381	NS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccccc3	100000	nM
P05979	CHEMBL1956386	NS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(cc3)C(F)(F)F	100000	nM
P05979	CHEMBL1956390	Cc1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)C	100000	nM
P05979	CHEMBL1957880	Fc1ccc(cc1)\N=C\c2cn(Cc3ccccc3)c4ccccc24	91100	nM
P05979	CHEMBL1957881	Cc1ccc(cc1)\N=C\c2cn(Cc3ccccc3)c4ccccc24	81500	nM
P05979	CHEMBL1957882	FC(F)(F)c1ccc(cc1)\N=C\c2cn(Cc3ccccc3)c4ccccc24	95500	nM
P05979	CHEMBL1957883	Fc1ccc(cc1)\N=C\c2cn(C(=O)c3ccccc3)c4ccccc24	100000	nM
P05979	CHEMBL1956383	COc1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL1956392	CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(F)cc3	100000	nM
P05979	CHEMBL1956394	CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(cc3)C(F)(F)F	100000	nM
P05979	CHEMBL1958350	COc1ccc2c(c1)c(CC(=O)Oc3ccc(CCO)cc3)c(C)n2C(=O)c4ccc(Cl)cc4	100000	nM
P05979	CHEMBL1956384	NS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(F)cc3	100000	nM
P05979	CHEMBL1957886	Clc1ccc(cc1)\N=C\c2cn(C(=O)c3ccccc3)c4ccccc24	86100	nM
P05979	CHEMBL2018564	CCNc1nnc(CN2N=C(Cc3ccccc3)c4onc(C)c4C2=O)s1	100000	nM
P05979	CHEMBL2018565	CNc1nnc(CN2N=C(Cc3ccc(cc3)[N+](=O)[O-])c4onc(C)c4C2=O)s1	67000	nM
P05979	CHEMBL2018567	Cc1noc2C(=NN(Cc3nnc(Nc4ccccc4)s3)C(=O)c12)Cc5ccc(cc5)[N+](=O)[O-]	77400	nM
P05979	CHEMBL2018563	CNc1nnc(CN2N=C(Cc3ccccc3)c4onc(C)c4C2=O)s1	99100	nM
P05979	CHEMBL2018669	Cc1noc2C(=NN(CC3=NNC(=S)N3c4ccccc4)C(=O)c12)Cc5ccccc5	100000	nM
P05979	CHEMBL2018570	COc1ccc(CC2=NN(Cc3nnc(Nc4ccccc4)s3)C(=O)c5c(C)noc25)cc1	100000	nM
P05979	CHEMBL2018671	CCN1C(=S)NN=C1CN2N=C(Cc3ccc(cc3)[N+](=O)[O-])c4onc(C)c4C2=O	100000	nM
P05979	CHEMBL2018672	Cc1noc2C(=NN(CC3=NNC(=S)N3c4ccccc4)C(=O)c12)Cc5ccc(cc5)[N+](=O)[O-]	100000	nM
P05979	CHEMBL2018675	COc1ccc(CC2=NN(CC3=NNC(=S)N3c4ccccc4)C(=O)c5c(C)noc25)cc1	100000	nM
P05979	CHEMBL2087940	CS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccccc3)cc1	63200	nM
P05979	CHEMBL2087942	CS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccc(F)cc3)cc1	62700	nM
P05979	CHEMBL2087941	CS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccc(Cl)cc3)cc1	83000	nM
P05979	CHEMBL2087938	Cc1ccc(cc1)C2SCC(=O)N2Nc3ccc(cc3)S(=O)(=O)N	85500	nM
P05979	CHEMBL2018569	CCNc1nnc(CN2N=C(Cc3ccc(OC)cc3)c4onc(C)c4C2=O)s1	100000	nM
P05979	CHEMBL2016598	Cc1noc2C(=NN(Cc3nnc(Nc4ccccc4)s3)C(=O)c12)Cc5ccccc5	100000	nM
P05979	CHEMBL2087935	NS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccccc3)cc1	96400	nM
P05979	CHEMBL2087939	NS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccc(cc3)C(F)(F)F)cc1	54500	nM
P05979	CHEMBL2087943	Cc1ccc(cc1)C2SCC(=O)N2Nc3ccc(cc3)S(=O)(=O)C	104700	nM
P05979	CHEMBL2087944	CS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccc(cc3)C(F)(F)F)cc1	61100	nM
P05979	CHEMBL2114342	COc1ccc2c(c1)c(CC(=O)NN3CCC[C@H]3CO)c(C)n2C(=O)c4ccc(Cl)cc4	80000	nM
P05979	CHEMBL2111594	COC(=O)[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL2112399	COC(=O)[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13	66000	nM
P05979	CHEMBL2139982	COc1ccc(CNC(=O)CN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL2115305	COc1ccc2c(c1)c(CC(=O)NN3CCC[C@@H]3CO)c(C)n2C(=O)c4ccc(Cl)cc4	80000	nM
P05979	CHEMBL2315018	CC(C)Cc1ccc(cc1)C(C)C(=O)N2c3ccccc3C(=O)c4ccccc24	51500	nM
P05979	CHEMBL2336619	Cc1ccc(cc1)c2cc(CO)nn2c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL2315729	Oc1ccc(Br)cc1\C=C\2/S\C(=N\c3nccs3)\NC2=O	65000	nM
P05979	CHEMBL2315014	CC(C)Cc1ccc(cc1)C(C)C(=O)OCCN2c3ccccc3C(=O)c4ccccc24	74100	nM
P05979	CHEMBL2315017	FC(F)(F)c1ccc(cc1)S(=O)(=O)OCCN2c3ccccc3C(=O)c4ccccc24	88100	nM
P05979	CHEMBL2171263	CNC(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O	100000	nM
P05979	CHEMBL2171274	COC(=O)C(C)c1ccc2c(c1)[nH]c3ccc(Cl)cc23	100000	nM
P05979	CHEMBL2171276	CC(C(=O)Nc1ccccc1)c2ccc3c(c2)[nH]c4ccc(Cl)cc34	100000	nM
P05979	CHEMBL2171242	COc1ccc(cc1)C(=O)n2c3ccc(Cl)cc3c4ccc(cc24)C(C)C(=O)O	100000	nM
P05979	CHEMBL2171252	C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccc(Cl)cc4)c2c1	100000	nM
P05979	CHEMBL2171258	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc4ccc(Cl)cc4)c2c1	100000	nM
P05979	CHEMBL2171262	CCCCCCNC(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O	100000	nM
P05979	CHEMBL2171241	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccc(F)cc4)c2c1	100000	nM
P05979	CHEMBL2171245	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccc(Cl)c(Cl)c4)c2c1	100000	nM
P05979	CHEMBL2171243	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4cccc(Cl)c4)c2c1	100000	nM
P05979	CHEMBL2171260	COc1ccccc1Cn2c3ccc(Cl)cc3c4ccc(cc24)C(C)C(=O)O	100000	nM
P05979	CHEMBL2171256	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc4ccccc4)c2c1	100000	nM
P05979	CHEMBL2171261	CCCCCCS(=O)(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O	100000	nM
P05979	CHEMBL2170689	Cc1cccc2c(CC(=O)O)cn(C(=O)c3ccc(Cl)cc3)c12	400000	nM
P05979	CHEMBL2170686	COc1cccc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c12	400000	nM
P05979	CHEMBL2171268	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)NC4CCCCC4)c2c1	100000	nM
P05979	CHEMBL2171259	COc1ccc(Cn2c3ccc(Cl)cc3c4ccc(cc24)C(C)C(=O)O)cc1	100000	nM
P05979	CHEMBL585723	COc1cc(cc2OCOc12)[C@@H]3[C@@H](C)[C@]4(OC)C=C(CC=C)C(=O)[C@]3(OC)C4=O	165000	nM
P05979	CHEMBL2315327	CCN(CC)c1ccc2c(Oc3cc(ccc3C24N(CCNS(=O)(=O)c5ccc(cc5)n6nc(cc6c7ccc(C)cc7)C(F)(F)F)C(=O)c8ccccc48)N(CC)CC)c1	100000	nM
P05979	CHEMBL2311577	CC(C)Cc1ccc(cc1)C(C)C(=O)OCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C	100000	nM
P05979	CHEMBL2171272	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccc(Cl)cc4)c2c1	74300	nM
P05979	CHEMBL2171267	CCCCCCN(C)C(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O	100000	nM
P05979	CHEMBL2171257	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc4ccc(cc4)C#N)c2c1	100000	nM
P05979	CHEMBL2171271	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccccc4)c2c1	100000	nM
P05979	CHEMBL2171248	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4cscn4)c2c1	100000	nM
P05979	CHEMBL2315326	CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNS(=O)(=O)c3ccc(cc3)n4nc(cc4c5ccc(C)cc5)C(F)(F)F	100000	nM
P05979	CHEMBL2315732	Cc1ccc(\C=C\2/S\C(=N\c3nccs3)\NC2=O)cc1	51000	nM
P05979	CHEMBL2315738	Clc1cccc(Cl)c1\C=C\2/S\C(=N\c3nccs3)\NC2=O	78000	nM
P05979	CHEMBL2171255	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C)c2c1	100000	nM
P05979	CHEMBL2171264	CCCCNC(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O	100000	nM
P05979	CHEMBL2171275	CC(C(=O)NCCO)c1ccc2c(c1)[nH]c3ccc(Cl)cc23	100000	nM
P05979	CHEMBL2171254	C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4cocn4)c2c1	100000	nM
P05979	CHEMBL2170688	CCc1cccc2c(CC(=O)O)cn(C(=O)c3ccc(Cl)cc3)c12	400000	nM
P05979	CHEMBL2171244	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccccc4Cl)c2c1	100000	nM
P05979	CHEMBL2171273	CC(C(=O)O)c1ccc2c(c1)[nH]c3ccccc23	100000	nM
P05979	CHEMBL2170687	COc1ccc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c2c1	200000	nM
P05979	CHEMBL2171250	C[C@@H](C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23	100000	nM
P05979	CHEMBL2171270	CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)C)c2c1	100000	nM
P05979	CHEMBL2315325	CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNS(=O)(=O)c3ccc(cc3)C4=C(C(=O)OC4)c5ccc(Cl)cc5	100000	nM
P05979	CHEMBL2402595	COc1cc(\C=C\C(=O)c2c(C)c(Cl)c(C)cc2O)cc(OC)c1OC	87500	nM
P05979	CHEMBL2377774	OC(=O)c1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-]	100000	nM
P05979	CHEMBL2377791	CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL2377794	NS(=O)(=O)c1ccc(cc1)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O	100000	nM
P05979	CHEMBL2377790	CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)S(=O)(=O)N)C(=O)c2c1	100000	nM
P05979	CHEMBL2377795	OC(=O)c1ccc(cc1)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O	100000	nM
P05979	CHEMBL2377770	NS(=O)(=O)c1ccc(cc1)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O	100000	nM
P05979	CHEMBL2377780	NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1	100000	nM
P05979	CHEMBL2377777	OC(=O)c1ccc(cc1)N2C(=O)c3nccnc3C2=O	100000	nM
P05979	CHEMBL2377785	OC(=O)c1ccc(cc1)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O	100000	nM
P05979	CHEMBL2377787	Cc1ccc2C(=O)N(Cc3ccc(cc3)S(=O)(=O)N)C(=O)c2c1	100000	nM
P05979	CHEMBL2377788	Cc1ccc2C(=O)N(C(=O)c2c1)c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL2377773	NS(=O)(=O)c1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-]	100000	nM
P05979	CHEMBL2377779	NS(=O)(=O)c1ccc(cc1)N2C(=O)c3cccc4cccc(C2=O)c34	100000	nM
P05979	CHEMBL2398536	NS(=O)(=O)c1ccc(Cn2cc(nn2)c3ccc(Cl)cc3)cc1	100000	nM
P05979	CHEMBL2398540	NS(=O)(=O)c1ccc(CCn2cc(nn2)c3ccc(F)cc3)cc1	100000	nM
P05979	CHEMBL2398541	NS(=O)(=O)c1ccc(CCn2cc(nn2)c3ccc(Cl)cc3)cc1	100000	nM
P05979	CHEMBL2407811	Cc1nc2NC(=O)NCc2c(C)c1O	1000000	nM
P05979	CHEMBL2407812	Cc1nc2NC(=O)OCc2c(C)c1O	198000	nM
P05979	CHEMBL2398542	Cc1ccc(cc1)c2cn(CCc3ccc(cc3)S(=O)(=O)N)nn2	100000	nM
P05979	CHEMBL2407813	Oc1cnc2NC(=O)NCc2c1	451000	nM
P05979	CHEMBL2377775	NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1	100000	nM
P05979	CHEMBL2377792	CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c3ccc(cc3)C(=O)O	100000	nM
P05979	CHEMBL2377781	NS(=O)(=O)c1ccc(cc1)N2C(=O)CCC2=O	100000	nM
P05979	CHEMBL2398532	COc1ccc(cc1)c2cn(CCc3ccc(cc3)S(=O)(=O)N)nn2	100000	nM
P05979	CHEMBL2398537	Cc1ccc(cc1)c2cn(Cc3ccc(cc3)S(=O)(=O)N)nn2	100000	nM
P05979	CHEMBL2398538	COc1ccc(cc1)c2cn(Cc3ccc(cc3)S(=O)(=O)N)nn2	100000	nM
P05979	CHEMBL2398539	NS(=O)(=O)c1ccc(CCn2cc(nn2)c3ccccc3)cc1	100000	nM
P05979	CHEMBL2377776	NS(=O)(=O)c1ccc(cc1)N2C(=O)c3nccnc3C2=O	100000	nM
P05979	CHEMBL2377771	OC(=O)c1ccc(cc1)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O	100000	nM
P05979	CHEMBL2377778	NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1	100000	nM
P05979	CHEMBL2377786	NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1	100000	nM
P05979	CHEMBL2377793	NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	100000	nM
P05979	CHEMBL2377782	OC(=O)c1ccc(cc1)N2C(=O)CCC2=O	100000	nM
P05979	CHEMBL2377783	NS(=O)(=O)c1ccc(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1	100000	nM
P05979	CHEMBL2377784	NS(=O)(=O)c1ccc(cc1)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O	100000	nM
P05979	CHEMBL2377772	NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-])cc1	100000	nM
P05979	CHEMBL2377789	Cc1ccc2C(=O)N(C(=O)c2c1)c3ccc(cc3)C(=O)O	100000	nM
P05979	CHEMBL2377796	NS(=O)(=O)c1ccc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1	100000	nM
P05979	CHEMBL2234964	CS(=O)(=O)c1ccc(cc1)c2nc3CCCCc3n2c4ccc(Cl)cc4	61600	nM
P05979	CHEMBL3100127	Oc1cc(OCCCn2cc(\C=C\3/C(=O)N(c4ccccc34)c5c(Cl)cccc5Cl)c6ccccc26)cc7OC(=CC(=O)c17)c8ccccc8	115000	nM
P05979	CHEMBL3099218	CC(C)(C)c1cc(\C=N\NC(=O)c2cccnc2)c(O)c(c1)C(C)(C)C	300000	nM
P05979	CHEMBL3100124	CC1=NN(C(=O)/C/1=C\c2cn(CCCCOc3cc(O)c4C(=O)C=C(Oc4c3)c5ccccc5)c6ccccc26)c7cccc(Cl)c7	90000	nM
P05979	CHEMBL3099220	CC(C)(C)c1cc(\C=N\NC(=O)c2ccncc2)c(O)c(c1)C(C)(C)C	300000	nM
P05979	CHEMBL3100125	Oc1cc(OCCCn2cc(\C=C\3/C(=O)Nc4ccccc34)c5ccccc25)cc6OC(=CC(=O)c16)c7ccccc7	102000	nM
P05979	CHEMBL3100129	CC1=NN(C(=O)/C/1=C\c2cn(CCCOc3cc(O)c4C(=O)C=C(Oc4c3)c5ccccc5)c6ccccc26)c7cccc(Cl)c7	118000	nM
P05979	CHEMBL2234962	CS(=O)(=O)c1ccc(cc1)c2nc3CCCCc3n2c4ccccc4	56500	nM
P05979	CHEMBL2234963	CS(=O)(=O)c1ccc(cc1)c2nc3CCCCc3n2c4ccc(F)cc4	55700	nM
P05979	CHEMBL3113617	Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)O)c3ccccc23	90110	nM
P05979	CHEMBL3103779	COc1ccc(cc1)c2nc(SC)nnc2c3ccc(cc3)S(=O)(=O)C	50100	nM
P05979	CHEMBL3103782	CSc1nnc(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(C)cc3	52400	nM
P05979	CHEMBL3103781	CSc1nnc(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(F)cc3	51600	nM
P05979	CHEMBL3103783	CSc1nnc(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccccc3	54400	nM
P05979	CHEMBL3265351	[O-][N+](=O)c1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccc(Cl)cc4)c5ccccc5	100000	nM
P05979	CHEMBL3265357	COc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5	100000	nM
P05979	CHEMBL3265358	[O-][N+](=O)c1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5	100000	nM
P05979	CHEMBL3265346	Cc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccc(Cl)cc4)c5ccccc5	100000	nM
P05979	CHEMBL3238416	Cc1ccc(cc1)C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)N	385000	nM
P05979	CHEMBL3238415	Cc1ccc(cc1)C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)C	500000	nM
P05979	CHEMBL3233597	COc1ccc(cc1)C2=C(C(=O)NC2=O)c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL3237071	COc1ccc(cc1)n2nc(nc2c3cc(OC)c(OC)c(OC)c3)C(=O)Nc4ccc(OC)c(OC)c4	100000	nM
P05979	CHEMBL3265348	Clc1ccc(cc1)c2oc(nn2)c3cn(nc3c4ccc(Cl)cc4)c5ccccc5	100000	nM
P05979	CHEMBL3265354	Fc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5	100000	nM
P05979	CHEMBL3238414	CS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccccc3)C(F)(F)F	500000	nM
P05979	CHEMBL3265347	Fc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccc(Cl)cc4)c5ccccc5	100000	nM
P05979	CHEMBL3233596	Cc1ccc(cc1)C2=C(C(=O)NC2=O)c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL3265350	COc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccc(Cl)cc4)c5ccccc5	100000	nM
P05979	CHEMBL3265356	Brc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5	100000	nM
P05979	CHEMBL3233598	NS(=O)(=O)c1ccc(cc1)C2=C(C(=O)NC2=O)c3ccc(Cl)cc3	100000	nM
P05979	CHEMBL3237067	COc1ccc(cc1)n2nc(nc2c3cc(OC)c(OC)c(OC)c3)C(=O)Nc4ccc(Br)cc4	100000	nM
P05979	CHEMBL3265349	Clc1ccc(cc1)c2oc(nn2)c3cn(nc3c4ccc(Br)cc4)c5ccccc5	100000	nM
P05979	CHEMBL3265352	o1c(nnc1c2cn(nc2c3ccccc3)c4ccccc4)c5ccncc5	100000	nM
P05979	CHEMBL3265345	Clc1ccc(cc1)c2oc(nn2)c3cn(nc3c4ccccc4)c5ccccc5	100000	nM
P05979	CHEMBL3237068	COc1ccc(cc1)n2nc(nc2c3cc(OC)c(OC)c(OC)c3)C(=O)Nc4ccc(Cl)cc4	100000	nM
P05979	CHEMBL3265355	Clc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5	100000	nM
P05979	CHEMBL3309957	O=C1\C(=C\c2ccc(cc2)N3CCCC3)\CN(Cc4ccccc4)C/C/1=C\c5ccc(cc5)N6CCCC6	51320	nM
P05979	CHEMBL3338728	COc1ccc(cc1)c2nn(cc2\C=N/N=C\3/SCC(=O)N3c4ccccc4)c5ccccc5	62330	nM
P05979	CHEMBL3338734	COc1ccc(cc1)c2nn(cc2C3SC(=NN3C(=O)C)N(C(=O)C)c4ccccc4)c5ccccc5	64660	nM
P05979	CHEMBL3338724	Brc1ccc(cc1)c2nn(cc2\C=N/NC3=NC(=O)CS3)c4ccccc4	66330	nM
P05979	CHEMBL3338721	Brc1ccc(cc1)c2nn(cc2\C=N/NC(=S)Nc3ccccc3)c4ccccc4	65660	nM
P05979	CHEMBL3338726	Clc1ccc(cc1)c2nn(cc2\C=N/N=C\3/SCC(=O)N3c4ccccc4)c5ccccc5	62330	nM
P05979	CHEMBL3338733	CC(=O)N(C1=NN(C(S1)c2cn(nc2c3ccc(Br)cc3)c4ccccc4)C(=O)C)c5ccccc5	72660	nM
P05979	CHEMBL3309956	CN1C\C(=C/c2ccc(cc2)N3CCCC3)\C(=O)\C(=C\c4ccc(cc4)N5CCCC5)\C1	69220	nM
P05979	CHEMBL3338717	NC(=S)N\N=C/c1cn(nc1c2ccc(Cl)cc2)c3ccccc3	56330	nM
P05979	CHEMBL3338723	Clc1ccc(cc1)c2nn(cc2\C=N/NC3=NC(=O)CS3)c4ccccc4	60660	nM
P05979	CHEMBL3338731	COc1ccc(cc1)c2nn(cc2C3SC(=NN3C(=O)C)NC(=O)C)c4ccccc4	80330	nM
P05979	CHEMBL3338720	Clc1ccc(cc1)c2nn(cc2\C=N/NC(=S)Nc3ccccc3)c4ccccc4	64500	nM
P05979	CHEMBL3338732	CC(=O)N(C1=NN(C(S1)c2cn(nc2c3ccc(Cl)cc3)c4ccccc4)C(=O)C)c5ccccc5	70330	nM
P05979	CHEMBL3338719	COc1ccc(cc1)c2nn(cc2\C=N/NC(=S)N)c3ccccc3	62330	nM
P05979	CHEMBL3338729	CC(=O)NC1=NN(C(S1)c2cn(nc2c3ccc(Cl)cc3)c4ccccc4)C(=O)C	70330	nM
P05979	CHEMBL3338718	NC(=S)N\N=C/c1cn(nc1c2ccc(Br)cc2)c3ccccc3	60330	nM
P05979	CHEMBL3338727	Brc1ccc(cc1)c2nn(cc2\C=N/N=C\3/SCC(=O)N3c4ccccc4)c5ccccc5	60500	nM
P05979	CHEMBL3338730	CC(=O)NC1=NN(C(S1)c2cn(nc2c3ccc(Br)cc3)c4ccccc4)C(=O)C	64660	nM
P05979	CHEMBL3265353	Cc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5	100000	nM
P05979	CHEMBL3290200	COc1ccc(NC(=O)c2nc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)N)cc1OC	346000	nM
P05979	CHEMBL3290199	NS(=O)(=O)c1ccc(cc1)n2nc(nc2c3ccccc3)C(=O)Nc4ccc(Cl)cc4	1000000	nM
P05979	CHEMBL3290203	Cc1ccc(NC(=O)c2nc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)N)cc1	516000	nM
P05979	CHEMBL3290205	CC(C)NC(=O)c1nc(c2ccccc2)n(n1)c3ccc(cc3)S(=O)(=O)N	1000000	nM
P05979	CHEMBL3290202	NS(=O)(=O)c1ccc(cc1)n2nc(nc2c3ccccc3)C(=O)NCc4ccccc4	1000000	nM
P05979	CHEMBL3290204	NS(=O)(=O)c1ccc(cc1)n2nc(nc2c3ccccc3)C(=O)NC4CCCCC4	1000000	nM
P05979	CHEMBL3290201	COc1ccc(NC(=O)c2nc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)N)cc1	1000000	nM
P05979	CHEMBL3338725	COc1ccc(cc1)c2nn(cc2\C=N/NC3=NC(=O)CS3)c4ccccc4	71330	nM
P05979	CHEMBL3290197	NS(=O)(=O)c1ccc(cc1)n2nc(nc2c3ccccc3)C(=O)Nc4nc5ccccc5s4	798000	nM
P05979	CHEMBL3408787	COc1cc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc(OC)c1OC	100000	nM
P05979	CHEMBL3408780	CC(C)(C)c1ccc2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c1	100000	nM
P05979	CHEMBL3408769	Fc1ccc(CN2C(=O)CCC2=O)cc1	100000	nM
P05979	CHEMBL3408791	Fc1ccc(CN2C(=O)c3nccnc3C2=O)cc1	100000	nM
P05979	CHEMBL3408793	Fc1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1	100000	nM
P05979	CHEMBL3408783	[O-][N+](=O)c1ccc2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c1	100000	nM
P05979	CHEMBL3408788	COc1ccc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1	100000	nM
P05979	CHEMBL3408782	COc1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-])cc1	118600	nM
P05979	CHEMBL3408786	Fc1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	100000	nM
P05979	CHEMBL3408775	COc1cc(CN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC	100000	nM
P05979	CHEMBL3408776	COc1ccc(CN2C(=O)c3ccc(C)cc3C2=O)cc1	100000	nM
P05979	CHEMBL3408772	Fc1ccc(CN2C(=O)C3CC=CCC3C2=O)cc1	100000	nM
P05979	CHEMBL3408784	COc1cc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(OC)c1OC	120400	nM
P05979	CHEMBL3408785	COc1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	130800	nM
P05979	CHEMBL3576987	COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c3cn(c4ccccc34)S(=O)(=O)c5ccc(C)cc5	65520	nM
P05979	CHEMBL3576988	Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)c5ccccc25	87220	nM
P05979	CHEMBL3402318	COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/c5ccc(cc5)C(C)C)\C(=O)n4n3	79600	nM
P05979	CHEMBL3576981	COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c3cn(c4ccccc34)S(=O)(=O)c5ccc(C)cc5	90900	nM
P05979	CHEMBL3576983	COC(=O)CC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=O)c2cn(c3ccccc23)S(=O)(=O)c4ccc(C)cc4)C(=O)OC	76450	nM
P05979	CHEMBL3576984	Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)O)c4ccccc24	100000	nM
P05979	CHEMBL3576985	COC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c3cn(c4ccccc34)S(=O)(=O)c5ccc(C)cc5	71300	nM
P05979	CHEMBL3576977	COC(=O)CNC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c3ccc(C)cc3	104400	nM
P05979	CHEMBL3576978	Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)O)c5ccccc25	100000	nM
P05979	CHEMBL3576980	Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)c5ccccc25	98310	nM
P05979	CHEMBL3601278	Cc1ccc(cc1)c2cc(CCl)nn2c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL3402326	COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/c5cccc6ccccc56)\C(=O)n4n3	85600	nM
P05979	CHEMBL3402325	COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/c5ccc(cc5)c6ccccc6)\C(=O)n4n3	100000	nM
P05979	CHEMBL3601276	Cc1ccc(cc1)c2cc(CO[N+](=O)[O-])nn2c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL3601277	Cc1ccc(cc1)c2c(Cl)c(CCl)nn2c3ccc(cc3)S(=O)(=O)N	100000	nM
P05979	CHEMBL3402332	COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/c5ccc(C)s5)\C(=O)n4n3	100000	nM
P05979	CHEMBL3402317	COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/C(=C/c5ccccc5)/C)\C(=O)n4n3	64700	nM
P05979	CHEMBL3408770	COc1cc(CN2C(=O)C3CC=CCC3C2=O)cc(OC)c1OC	100000	nM
P05979	CHEMBL3408789	Fc1ccc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1	100000	nM
P05979	CHEMBL3408774	Fc1ccc(CN2C(=O)c3ccccc3C2=O)cc1	115600	nM
P05979	CHEMBL3408792	COc1cc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc(OC)c1OC	100000	nM
P05979	CHEMBL3408777	Cc1ccc2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c1	100000	nM
P05979	CHEMBL3408779	COc1ccc(CN2C(=O)c3ccc(cc3C2=O)C(C)(C)C)cc1	100000	nM
P05979	CHEMBL3408767	COc1cc(CN2C(=O)CCC2=O)cc(OC)c1OC	100000	nM
P05979	CHEMBL3408790	COc1cc(CN2C(=O)c3nccnc3C2=O)cc(OC)c1OC	100000	nM
P05979	CHEMBL3408778	COc1cc(CN2C(=O)c3ccc(cc3C2=O)C(C)(C)C)cc(OC)c1OC	100000	nM
P05979	CHEMBL3408768	COc1ccc(CN2C(=O)CCC2=O)cc1	100000	nM
P05979	CHEMBL3408781	COc1cc(CN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-])cc(OC)c1OC	120300	nM
P05979	CHEMBL3408771	COc1ccc(CN2C(=O)C3CC=CCC3C2=O)cc1	100000	nM
P05979	CHEMBL3408773	COc1cc(CN2C(=O)c3ccccc3C2=O)cc(OC)c1OC	100000	nM
P05979	CHEMBL3576975	Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)N[C@H](Cc3cnc[nH]3)C(=O)N[C@H](CCC(=O)O)C(=O)O)c4ccccc24	150650	nM
P05979	CHEMBL3576973	Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)NCC(=O)O)c3ccccc23	100000	nM
P05979	CHEMBL3628630	COc1cccc(Oc2cc(ccc2NS(=O)(=O)C)[N+](=O)[O-])c1	100000	nM
P05979	CHEMBL3628629	COc1ccccc1Oc2cc(ccc2NS(=O)(=O)C)[N+](=O)[O-]	100000	nM
P05979	CHEMBL3628727	COc1ccc(Oc2cc(ccc2NS(=O)(=O)C)[N+](=O)[O-])cc1	100000	nM
P05979	CHEMBL3601279	Cc1ccc(cc1)c2c(Cl)c(CO[N+](=O)[O-])nn2c3ccc(cc3)S(=O)(=O)N	61000	nM
P05979	CHEMBL3601280	CC(=O)Oc1ccccc1C(=O)OCCCCO[N+](=O)[O-]	65000	nM
P05979	CHEMBL3780916	CC(=O)Nc1ccc(cc1)C2=NN(C(C2)c3ccc(Cl)cc3)c4ccccc4	100000	nM
P05979	CHEMBL3779958	[O-][N+](=O)OCC(=O)N1N=C(CC1c2ccc(cc2)[N+](=O)[O-])c3ccc(F)cc3	100000	nM
P05979	CHEMBL3781409	CC(=O)c1ccc(NCC(=O)N2N=C(CC2c3ccc(cc3)[N+](=O)[O-])c4ccccc4)cc1	100000	nM
P05979	CHEMBL3781986	CC(=O)c1ccc(NCC(=O)N2N=C(CC2c3ccc(cc3)[N+](=O)[O-])c4ccc(F)cc4)cc1	100000	nM
P05979	CHEMBL3780708	CC(=O)Nc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)[N+](=O)[O-])C(=O)C	100000	nM
P05979	CHEMBL3734944	[O-][N+](=O)OCC1=Nc2ccccc2C(=O)N1NS(=O)(=O)c3ccccc3	98630	nM
P05979	CHEMBL3775475	CCCCCCNC(=O)Oc1ccc(cc1)c2ccc(cc2F)C(C)C(=O)O	100000	nM
P05979	CHEMBL3775360	CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)C(C)C(=O)OC	100000	nM
P05979	CHEMBL3774393	CCCCCCNC(=O)Oc1cccc(c1)c2ccc(C)cc2F	100000	nM
P05979	CHEMBL3774999	CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)C(=O)O	100000	nM
P05979	CHEMBL3774612	CS(=O)(=O)c1ccc(cc1)c2cc(nc(NCc3ccc(I)cc3)n2)C(F)(F)F	100000	nM
P05979	CHEMBL3774538	CS(=O)(=O)c1ccc(cc1)c2cc(nc(OCc3ccc(I)cc3)n2)C(F)(F)F	100000	nM
P05979	CHEMBL3774963	NS(=O)(=O)c1ccc(cc1)c2cc(nc(NCc3ccc(I)cc3)n2)C(F)(F)F	100000	nM
P05979	CHEMBL3786872	Fc1ccc(NC(=O)CN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL3785358	NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL3786373	NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL3786688	COc1cc(CNC(=O)CN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc(OC)c1OC	100000	nM
P05979	CHEMBL3785255	Fc1ccc(NC(=O)CCN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL3786019	COc1ccc(NC(=O)CCN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL3785126	NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL3787062	Fc1ccc(CNC(=O)CCN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL3786565	COc1ccc(CNC(=O)CCN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)cc1	100000	nM
P05979	CHEMBL3785540	Fc1ccc(cc1)C(=O)CN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4	70500	nM
P05979	CHEMBL3785696	COc1ccc(cc1)C(=O)CN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4	70500	nM
P05979	CHEMBL3815106	NNC(=O)CSC1=Nc2ccccc2C(=O)N1CCc3ccccn3	100000	nM
P05979	CHEMBL3813998	COc1cc(NC(=O)CSC2=Nc3ccccc3C(=O)N2CCc4ccccn4)cc(OC)c1OC	100000	nM
P05979	CHEMBL3814898	COc1cc(NC(=O)CCSC2=Nc3ccccc3C(=O)N2CCc4ccccn4)cc(OC)c1OC	100000	nM
P05979	CHEMBL3814371	Fc1ccc(cc1)C(=O)CSC2=Nc3ccccc3C(=O)N2CCc4ccccn4	100000	nM
P05979	CHEMBL3814962	SC1=Nc2ccccc2C(=O)N1CCc3ccccn3	100000	nM
P05979	CHEMBL3814616	Fc1ccc(NC(=O)CSC2=Nc3ccccc3C(=O)N2CCc4ccccn4)cc1	100000	nM
P05979	CHEMBL3813973	COc1ccc(NC(=O)CSC2=Nc3ccccc3C(=O)N2CCc4ccccn4)cc1	100000	nM
P05979	CHEMBL3818762	CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2I)[N+](=O)[O-]	100000	nM
P05979	CHEMBL3818849	CS(=O)(=O)Nc1ccc(cc1Oc2ccc(I)cc2)[N+](=O)[O-]	100000	nM
P05979	CHEMBL3819010	CS(=O)(=O)Nc1ccc(cc1Oc2cccc(I)c2)[N+](=O)[O-]	100000	nM
P09960	CHEMBL346855	COc1ccc2c(c1)c(CC(=O)N)c(C)n2Cc3ccccc3	100000	nM
P09960	CHEMBL346855	COc1ccc2c(c1)c(CC(=O)N)c(C)n2Cc3ccccc3	100000	nM
P09960	CHEMBL152849	COC(=O)C(S)[C@@H](N)Cc1ccccc1	250000	nM
P09960	CHEMBL56367	CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]	100000	nM
P09960	CHEMBL56367	CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]	100000	nM
P09960	CHEMBL302932	N[C@@H](Cc1ccccc1)[C@H](O)C(=O)O	1000000	nM
P09960	CHEMBL165	Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1	212000	nM
P09960	CHEMBL165	Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1	366000	nM
P09960	CHEMBL483790	Nc1nc(cs1)c2ccc(O)cc2	1443000	nM
P09960	CHEMBL483790	Nc1nc(cs1)c2ccc(O)cc2	1000000	nM
P09960	CHEMBL264669	C(Nc1ccccc1)c2cccnc2	1667000	nM
P09960	CHEMBL264669	C(Nc1ccccc1)c2cccnc2	1321000	nM
P09960	CHEMBL563692	C(CN1CCCC1)Oc2ccc3[nH]ccc3c2	234000	nM
P09960	CHEMBL563692	C(CN1CCCC1)Oc2ccc3[nH]ccc3c2	321000	nM
P09960	CHEMBL111234	Oc1ccc(CCc2cc(O)cc(O)c2)cc1	247000	nM
P09960	CHEMBL111234	Oc1ccc(CCc2cc(O)cc(O)c2)cc1	145000	nM
P09960	CHEMBL460302	NCCc1c[nH]c2c(OCc3ccccc3)cccc12	217000	nM
P09960	CHEMBL194009	Nc1ncccc1OCc2ccccc2	619000	nM
P09960	CHEMBL194009	Nc1ncccc1OCc2ccccc2	308000	nM
P09960	CHEMBL1668623	Cl.NC1Cc2ccccc2CC1=O	1000000	nM
P09960	CHEMBL1668624	Cl.NC1C(=O)Cc2ccccc12	1000000	nM
P09960	CHEMBL1668625	Cl.NC1Cc2ccccc2CCC1=O	1000000	nM
P09960	CHEMBL1668626	Cl.NC1CCc2ccccc2CC1=O	1000000	nM
P09960	CHEMBL1668628	Cl.NC1CCc2ccccc2C/C/1=N/O	1000000	nM
P09960	CHEMBL68092	COC(=O)C(S)[C@H](N)Cc1ccccc1	250000	nM
P09960	CHEMBL566838	Nc1ccccc1OCc2cccnc2	2000000	nM
P09960	CHEMBL69029	COC(=O)[C@H](O)[C@@H](N)Cc1ccccc1	500000	nM
P09960	CHEMBL555013	Clc1ccc2[nH]ccc2c1	1510000	nM
P09960	CHEMBL555013	Clc1ccc2[nH]ccc2c1	1000000	nM
P09960	CHEMBL562164	OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1	966000	nM
P09960	CHEMBL562164	OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1	1491000	nM
P09960	CHEMBL460497	[Br-].[O-][N+](=O)c1ccc(Cc2cc[n+](CC(=O)c3ccccc3)cc2)cc1	386000	nM
P09960	CHEMBL70599	N[C@H](Cc1ccccc1)[C@H](O)C(=O)NCCC(=O)O	100000	nM
P09960	CHEMBL71105	N[C@@H](Cc1ccccc1)[C@H](O)C(=O)NCCC(=O)O	80000	nM
P09960	CHEMBL460496	NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O	231000	nM
P09960	CHEMBL460496	NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O	231000	nM
P09960	CHEMBL538940	NCc1ccc(s1)c2cccs2	75200	nM
P09960	CHEMBL549343	CNCc1ccccc1c2cccs2	2000000	nM
P09960	CHEMBL549343	CNCc1ccccc1c2cccs2	1077000	nM
P09960	CHEMBL71628	CCOC(=O)CC(F)(F)C(=O)\C=C\c1ccccc1	5000000	nM
P09960	CHEMBL306190	NC(Cc1ccccc1)P(=O)(O)NCC(=O)O	200000	nM
P09960	CHEMBL565599	O=C(c1ccncc1)c2ccc(OCCN3CCCC3)cc2	199000	nM
P09960	CHEMBL404923	Oc1ccc2[nH]ccc2c1	2000000	nM
P09960	CHEMBL404923	Oc1ccc2[nH]ccc2c1	1000000	nM
P09960	CHEMBL563196	Fc1ccc(cc1)C(=O)c2ccncc2	5380000	nM
P09960	CHEMBL563196	Fc1ccc(cc1)C(=O)c2ccncc2	5308000	nM
P09960	CHEMBL563196	Fc1ccc(cc1)C(=O)c2ccncc2	3673000	nM
P09960	CHEMBL539640	NCc1ccc(cc1)c2cccs2	98000	nM
P09960	CHEMBL539640	NCc1ccc(cc1)c2cccs2	106000	nM
P09960	CHEMBL539640	NCc1ccc(cc1)c2cccs2	106000	nM
P09960	CHEMBL555457	Fc1ccc2[nH]ccc2c1	2000000	nM
P09960	CHEMBL555457	Fc1ccc2[nH]ccc2c1	1000000	nM
P09960	CHEMBL558285	OC(c1ccncc1)c2ccc(OCCN3CCCC3)cc2	170000	nM
P09960	CHEMBL558285	OC(c1ccncc1)c2ccc(OCCN3CCCC3)cc2	202000	nM
P09960	CHEMBL1775095	CS(=O)(=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1	100000	nM
P09960	CHEMBL1775095	CS(=O)(=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1	100000	nM
P09960	CHEMBL1775111	CN(c1ccccc1Oc2ccc(OCCN3CCCC3)cc2)S(=O)(=O)C	100000	nM
P09960	CHEMBL1775111	CN(c1ccccc1Oc2ccc(OCCN3CCCC3)cc2)S(=O)(=O)C	100000	nM
P09960	CHEMBL1775096	CS(=O)(=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+](=O)[O-]	100000	nM
P09960	CHEMBL1775096	CS(=O)(=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+](=O)[O-]	100000	nM
P09960	CHEMBL1775094	CS(=O)(=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1	100000	nM
P09960	CHEMBL1775094	CS(=O)(=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1	100000	nM
P09960	CHEMBL1775097	C(CN1CCCC1)Oc2ccc(Oc3cnccn3)cc2	100000	nM
P09960	CHEMBL1775093	CS(=O)(=O)c1ccccc1Oc2ccc(OCCN3CCCC3)cc2	100000	nM
P09960	CHEMBL1775093	CS(=O)(=O)c1ccccc1Oc2ccc(OCCN3CCCC3)cc2	100000	nM
P09960	CHEMBL1775100	FC(F)(F)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1	100000	nM
P09960	CHEMBL1775108	CS(=O)(=O)N(c1ccccc1Oc2ccc(OCCN3CCCC3)cc2)S(=O)(=O)C	100000	nM
P09960	CHEMBL1775108	CS(=O)(=O)N(c1ccccc1Oc2ccc(OCCN3CCCC3)cc2)S(=O)(=O)C	100000	nM
P09960	CHEMBL1775109	CS(=O)(=O)N(c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1)S(=O)(=O)C	100000	nM
P09960	CHEMBL1775109	CS(=O)(=O)N(c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1)S(=O)(=O)C	100000	nM
P09960	CHEMBL1775090	[O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+](=O)[O-]	100000	nM
P09960	CHEMBL1775090	[O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+](=O)[O-]	100000	nM
P09960	CHEMBL2316056	Cl.NCCc1c[nH]c2ccc(OCc3cccc4ccccc34)cc12	100000	nM
P09960	CHEMBL2316067	OC(=O)NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4)cc3)cc12	100000	nM
P09960	CHEMBL2316069	Cl.NCCc1c[nH]c2ccc(OCc3ccc4ccccc4c3)cc12	100000	nM
P09960	CHEMBL2316058	Cl.NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12	100000	nM
P09960	CHEMBL2316060	Cl.NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccc(cc4)[N+](=O)[O-])cc3)cc12	100000	nM
P09960	CHEMBL2316066	OC(=O)NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12	100000	nM
P09960	CHEMBL2316068	Cl.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12	100000	nM
P09960	CHEMBL2316061	Cl.NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4[N+](=O)[O-])cc3)cc12	100000	nM
P08709	CHEMBL368684	CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O	100000	nM
P08709	CHEMBL2040983	Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc4ccc(cc4)N5CCOCC5=O)cc1	1000000	nM
P08709	CHEMBL3115894	NC(=N)c1ccc(CNC(=O)C(CCC2CCNCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O)O)cc1	133000	nM
P08709	CHEMBL3330442	Clc1ccc(s1)C(=O)NC[C@@H]2OC(=O)N3[C@H]2COc4cc(ccc34)N5CCOCC5=O	100000	nM
P08709	CHEMBL3330482	Clc1ccc(s1)C(=O)NC[C@@H]2OC(=O)N3[C@H]2CSc4cc(ccc34)N5CCOCC5=O	100000	nM
P08709	CHEMBL3330493	Clc1ccc(s1)C(=O)NC[C@@H]2OC(=O)N3[C@H]2CNc4cc(ccc34)N5CCOCC5=O	100000	nM
P08709	CHEMBL3330490	Clc1ccc(s1)C(=O)NC[C@@H]2OC(=O)N3[C@H]2CCc4cc(ccc34)N5CCOCC5=O	100000	nM
P08709	CHEMBL3577334	CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](CCCCN)C(=O)O	100000	nM
P08709	CHEMBL3740183	CCCCNC(=O)c1ccn2c(NCc3ccc(NC(=N)N)cc3)cnc2c1	100000	nM
P08709	CHEMBL3787587	O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc2cc(Cl)ccc2n3cnnn3)c4ccc(F)cc4	51000	nM
P14555	CHEMBL1096553	CCCCCCCCCCCCCCN1CC(=O)N(Cc2ccc(cc2)C3=NOC(=O)N3)CC1=O	57000	nM
P14555	CHEMBL374284	CCCCCCCOCC(COc1ccc(cc1)C2=NOC(=O)N2)OCCCCCCC	50900	nM
P14555	CHEMBL219946	CCCCCCCCCCCCCCOC(CO)COc1ccc(cc1)C2=NOC(=O)N2	56000	nM
P14555	CHEMBL439687	O=C1C=C(Oc2ccc(cc12)c3ccc4OC(=CC(=O)c4c3)c5ccccc5)c6ccccc6	69300	nM
P14555	CHEMBL480874	C[C@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CCC3=CC[C@@H](OC3)C4=CC(=O)O[C@H]4O	96700	nM
P14555	CHEMBL270511	CCCCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)C3=NOC(=O)N3)CC1	100000	nM
P14555	CHEMBL345720	Cc1c(CC(=O)N)c2cc(Oc3cccc(c3)C(=O)O)ccc2n1Cc4ccccc4	110000	nM
P14555	CHEMBL271571	CCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)C3=NOC(=O)N3)CC1	100000	nM
P14555	CHEMBL460302	NCCc1c[nH]c2c(OCc3ccccc3)cccc12	52500	nM
P14555	CHEMBL29292	CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O	100000	nM
P14555	CHEMBL111739	C[C@@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CCC3=CCC(OC3)C4=CC(=O)OC4O	86700	nM
P14555	CHEMBL463914	C\C(=C/CCC1=CC[C@@H](O[C@H]1O)C2=CC(=O)O[C@H]2O)\CCC3=C(C)CCCC3(C)C	93200	nM
P14555	CHEMBL223233	CCCCCCCCCCCCCCOC(COCc1ccccc1)COc2ccc(cc2)C3=NOC(=O)N3	100000	nM
P14555	CHEMBL1096816	CCCCCCCCCCCCCC(=O)N1CCN(Cc2ccc(cc2)C3=NOC(=O)N3)C(=O)C1	75000	nM
P14555	CHEMBL480681	C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC4=CC[C@@H](OC4)C5=CC(=O)O[C@H]5O	90700	nM
P14555	CHEMBL205326	O=C1C=C(Oc2ccccc12)c3ccc(cc3)c4ccc5OC(=CC(=O)c5c4)c6ccccc6	63900	nM
P14555	CHEMBL219892	O=C1NC(=NO1)c2ccc(OCC(COCCCCc3ccccc3)OCCCCc4ccccc4)cc2	76700	nM
P14555	CHEMBL272209	CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c2ccc(cc2)C3=NOC(=O)N3	100000	nM
P14555	CHEMBL272207	CCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c2ccc(cc2)C3=NOC(=O)N3	100000	nM
P14555	CHEMBL1814420	CCCCOc1ccc(cc1)c2cc(C(=O)OC)c3cc(OC)ccc3n2	57000	nM
P14555	CHEMBL2335196	Cc1nc(NC(=O)c2ccccc2)sc1c3cc([nH]n3)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)O	262000	nM
P14555	CHEMBL2316067	OC(=O)NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4)cc3)cc12	71000	nM
P14555	CHEMBL2335207	Cc1nc(NC(=O)c2ccccc2)sc1c3cc([nH]n3)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O	71000	nM
P14555	CHEMBL2316066	OC(=O)NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12	58000	nM
P14555	CHEMBL2335198	Cc1nc(NC(=O)c2ccccc2)sc1c3cc([nH]n3)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)O	155000	nM
P14555	CHEMBL2335203	C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2ccc3nn4c(OCc5cc(Cl)ccc45)c3c2)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)O	85000	nM
P14555	CHEMBL2316068	Cl.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12	52000	nM
P14555	CHEMBL2316065	OC(=O)NCCc1c[nH]c2ccc(OCc3ccc(cc3)c4ccccc4)cc12	53000	nM
P14555	CHEMBL2335195	Cc1nc(NC(=O)c2ccccc2)sc1c3cc([nH]n3)C(=O)NCC(=O)O	241000	nM
P14555	CHEMBL2335197	Cc1nc(NC(=O)c2ccccc2)sc1c3cc([nH]n3)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)O	217000	nM
P61073	CHEMBL604583	CN(c1ccccc1C(=O)c2ccsc2)S(=O)(=O)c3ccc(C)cc3	60000	nM
P61073	CHEMBL595990	CN(c1ccccc1N(C)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3	60000	nM
P61073	CHEMBL1386274	COc1cc(cc(OC)c1OC)C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc4ccccc4	79000	nM
P61073	CHEMBL604277	Cc1ccc(cc1)S(=O)(=O)N(CC=C)c2ccccc2N(CC=C)S(=O)(=O)c3ccc(C)cc3	60000	nM
P61073	CHEMBL3185809	COc1ccc(CN2C3CCCC2CC(C3)NC(=O)c4cc(OC)c(OC)c(OC)c4)cc1	57450	nM
P61073	CHEMBL3187346	COc1cc(cc(OC)c1OC)C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc4ccc(C)cc4	79000	nM
P61073	CHEMBL3182804	COc1cc(cc(OC)c1OC)C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc4ccc(F)cc4	79000	nM
P61073	CHEMBL3186994	COc1cc(cc(OC)c1OC)C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc4ccccc4Cl	60100	nM
P61073	CHEMBL3186994	COc1cc(cc(OC)c1OC)C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc4ccccc4Cl	79000	nM
P61073	CHEMBL3184780	COc1ccc(NC(=O)CN2C3CCCC2CC(C3)NC(=O)c4cc(OC)c(OC)c(OC)c4)cc1	79000	nM
P61073	CHEMBL3188149	COc1ccccc1NC(=O)CN2C3CCCC2CC(C3)NC(=O)c4cc(OC)c(OC)c(OC)c4	79000	nM
P61073	CHEMBL3185379	COc1cc(cc(OC)c1OC)C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc4ccc(Cl)cc4	79000	nM
P28482	CHEMBL1668418	COc1cc(O)c2C(=O)O[C@@H](C)C\C=C\C(=O)CCC\C=C\c2c1	100000	nM
P28482	CHEMBL228043	C\C(=C(/C#N)\C(=O)Nc1cc(Br)ccc1Br)\O	500000	nM
P28482	CHEMBL1668419	COc1cc(O)c2C(=O)O[C@@H](C)C\C=C\C(=O)CCCCCc2c1	100000	nM
P28482	CHEMBL1087421	COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl	100000	nM
P28482	CHEMBL1088633	COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl	100000	nM
P28482	CHEMBL1922210	CC[C@H](Nc1nc(NCc2cccnc2)c3ncn(C(C)C)c3n1)C(O)C(C)C	67000	nM
P28482	CHEMBL1922121	CC[C@@H](Nc1nc(NCc2cccnc2)c3ncn(C(C)C)c3n1)C(O)C(C)C	111000	nM
P28482	CHEMBL1922122	CC[C@@H](Nc1nc(NCc2cccnc2)c3ncn(C(C)C)c3n1)C(O)C(C)(C)C	51000	nM
P28482	CHEMBL1922123	CC[C@@H](Nc1nc(NCc2cccnc2)c3ncn(C(C)C)c3n1)C(C)(C)O	91000	nM
P28482	CHEMBL2338335	CN1C[C@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
P28482	CHEMBL2338334	CN1C[C@@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
P28482	CHEMBL3318009	COc1ccc(cc1OC)c2cnc3c(NC(=O)NC(C)(C)C)ccnc3c2	100000	nM
P28482	CHEMBL3318035	Cn1cc(cn1)c2cnc3c(NC(=O)NCCc4ccccc4)ccnc3c2	100000	nM
P28482	CHEMBL3318008	CCNC(=O)Nc1ccnc2cc(cnc12)c3ccc(OC)c(OC)c3	100000	nM
P28482	CHEMBL3361128	Oc1ccc(\C=C/2\Oc3ccccc3C2=O)cc1O	100000	nM
P28482	CHEMBL3318033	Cn1cc(cn1)c2cnc3c(NC(=O)Nc4ccccc4)ccnc3c2	100000	nM
P28482	CHEMBL3318034	Cn1cc(cn1)c2cnc3c(NC(=O)NCc4ccccc4)ccnc3c2	100000	nM
P28482	CHEMBL3318031	COc1cc(ccc1O)c2cnc3c(NC(=O)NC(C)(C)C)ccnc3c2	100000	nM
P28482	CHEMBL3355482	CN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3	100000	nM
P28482	CHEMBL3398592	Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c4ccc(cc4)c5ccc(F)cc5)C2)cc1Cl	100000	nM
P28482	CHEMBL3628247	Brc1cnc2[nH]ccc2n1	200000	nM
P28482	CHEMBL3628360	c1cncc(c1)c2cnc3[nH]ccc3n2	71500	nM
P28482	CHEMBL3628249	c1ccc(cc1)c2cnc3[nH]ccc3n2	50100	nM
P28482	CHEMBL3628253	COc1ccc(cc1)c2cnc3[nH]ccc3n2	89700	nM
P28482	CHEMBL3628250	NC(=O)c1cccc(c1)c2cnc3[nH]ccc3n2	200000	nM
P28482	CHEMBL3628251	Oc1cccc(c1)c2cnc3[nH]ccc3n2	200000	nM
P28482	CHEMBL3752694	COc1cc2nc(NC(=O)c3csc(COc4ccc(F)cc4)n3)sc2cc1OC	82000	nM
P28482	CHEMBL3780151	Fc1ccc(Nc2cncc3nc(cnc23)c4ccccc4)cc1Cl	100000	nM
P28482	CHEMBL3781538	C1CCN(CC1)c2ccc(cc2)c3cnc4c(Nc5ccccc5)cncc4n3	100000	nM
P28482	CHEMBL3782023	COc1cccc(Nc2cncc3nc(cnc23)c4ccc(cc4)N5CCCCC5)c1	100000	nM
P28482	CHEMBL3780768	COc1cccc(NC(=O)Nc2nccc3nc(cnc23)c4ccccc4)c1	100000	nM
P28482	CHEMBL3780985	CCNC(=O)Nc1nccc2nc(cnc12)c3ccccc3	100000	nM
P28482	CHEMBL3780350	C#Cc1cccc(Nc2nccc3nc(cnc23)c4ccccc4)c1	100000	nM
P28482	CHEMBL3781543	COc1ccccc1Nc2nccc3nc(cnc23)c4ccccc4	100000	nM
P28482	CHEMBL3781584	COc1cccc(Nc2nccc3nc(cnc23)c4ccccc4)c1	100000	nM
P28482	CHEMBL3781566	COc1ccc(Nc2nccc3nc(cnc23)c4ccccc4)cc1	100000	nM
P28482	CHEMBL3780515	C1CN(CCO1)c2ccc(Nc3nccc4nc(cnc34)c5ccccc5)cc2	100000	nM
P28482	CHEMBL3780637	COc1ccc(cc1)c2cnc3c(Nc4ccc(cc4)N5CCOCC5)nccc3n2	100000	nM
P28482	CHEMBL3781159	COc1cccc(Nc2cc3nc(cnc3cn2)c4ccccc4)c1	100000	nM
P28482	CHEMBL3780543	C1CN(CCO1)c2ccc(Nc3cc4nc(cnc4cn3)c5ccccc5)cc2	100000	nM
P28482	CHEMBL3780571	C1CCN(CC1)c2ccc(Nc3cc4ncc(nc4cn3)c5ccccc5)cc2	100000	nM
P04062	CHEMBL1086997	CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO	320000	nM
P04062	CHEMBL490716	CCCOCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O	500000	nM
P04062	CHEMBL490715	CCCOCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O	127000	nM
P04062	CHEMBL491731	O[C@@H]1CNC(=O)[C@@H](O)[C@@H]1O	500000	nM
P04062	CHEMBL491915	OCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1=O	500000	nM
P04062	CHEMBL491743	CCCCCCCCCCN1C[C@H](NC(=O)C)[C@@H](O)[C@@H](O)C1=O	500000	nM
P04062	CHEMBL470943	OCCCCCCN1C[C@@H](O)[C@@H](O)C1=O	500000	nM
P04062	CHEMBL1029	CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	400000	nM
P04062	CHEMBL1029	CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	399000	nM
P04062	CHEMBL1029	CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	259000	nM
P04062	CHEMBL444504	CCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O	102000	nM
P04062	CHEMBL491718	CCCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O	175000	nM
P04062	CHEMBL490661	O[C@@H]1CN(Cc2ccccc2)C(=O)[C@@H](O)[C@@H]1O	500000	nM
P04062	CHEMBL491744	CCCCCCCCCCN1C[C@@H](O)[C@@H](O)C1=O	285000	nM
P04062	CHEMBL448517	OCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O	500000	nM
P04062	CHEMBL486065	CCCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@@H](O)C1=O	463000	nM
P04062	CHEMBL490751	CCCCCCCCN1C[C@@H](O)C(O)[C@H](O)C1	500000	nM
P04062	CHEMBL499827	OCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O	500000	nM
P04062	CHEMBL469435	OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O	970000	nM
P04062	CHEMBL1088892	CCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	70000	nM
P04062	CHEMBL1088892	CCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	100000	nM
P04062	CHEMBL307429	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O	195000	nM
P04062	CHEMBL307429	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O	506000	nM
P04062	CHEMBL307429	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O	240000	nM
P04062	CHEMBL1682495	CCCCCCCCCN1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)[C@H]2CO	60000	nM
P04062	CHEMBL1561	OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	84000	nM
P04062	CHEMBL1089184	CCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	400000	nM
P04062	CHEMBL1213470	OC[C@H]1N\C(=N\O)\[C@H](O)[C@@H](O)[C@@H]1O	65810	nM
P04062	CHEMBL1089183	CCC[C@H]1N[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	487000	nM
P04062	CHEMBL1088891	CCCC[C@H]1N[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	147000	nM
P04062	CHEMBL526183	CC(=O)N[C@H]1CN(CCCCCCO)C(=O)[C@H](O)[C@@H]1O	500000	nM
P04062	CHEMBL1682494	CCCCN1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)[C@H]2CO	100000	nM
P04062	CHEMBL490714	CCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O	500000	nM
P04062	CHEMBL488314	CCCN(CCC)CCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O	253000	nM
P04062	CHEMBL492080	CCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1=O	295000	nM
P04062	CHEMBL491745	OCCCCCCN1C[C@@H](O)[C@@H](O)[C@@H](O)C1=O	500000	nM
P04062	CHEMBL1818321	OC[C@H]1CNC[C@H](O)[C@@H]1O	113000	nM
P04062	CHEMBL1818433	OC[C@H]1CNC[C@@H](O)[C@H]1O	54000	nM
P04062	CHEMBL1922579	Cl.CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL2012659	CCCCCCCCCO[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCCCCCCCC	144000	nM
P04062	CHEMBL3216992	Cl.Cl.N[C@@H]1[C@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	53400	nM
P04062	CHEMBL3220376	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](NCCCC(=O)NC23CC4CC(CC(C4)C2)C3)[C@H](O)[C@H]1O	257000	nM
P04062	CHEMBL3220376	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](NCCCC(=O)NC23CC4CC(CC(C4)C2)C3)[C@H](O)[C@H]1O	58000	nM
P04062	CHEMBL3233944	O[C@@H]1[C@@H](O)[C@H]2CC[C@](O)(N2)[C@@H]1O	616000	nM
P04062	CHEMBL3233945	O[C@@H]1[C@H](O)[C@H]2CC[C@](O)(N2)[C@H]1O	175000	nM
P04062	CHEMBL3354026	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC2CCCCC2	60000	nM
P04062	CHEMBL3354036	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc2cc3ccccc3c4ccccc24	600000	nM
P04062	CHEMBL3354622	C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c2ccc(cc2)c3ccccc3	400000	nM
P04062	CHEMBL3354632	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc2ccc(cc2)c3ccccc3	500000	nM
P04062	CHEMBL3354638	OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc2ccc(cc2)c3ccccc3	200000	nM
P04062	CHEMBL3393932	OC[C@H]1O[C@@H]2N=C(O[C@@H]2[C@@H](O)[C@@H]1O)SCCCCCCCCCCCCCCCC(=O)O	1000000	nM
P04062	CHEMBL3393932	OC[C@H]1O[C@@H]2N=C(O[C@@H]2[C@@H](O)[C@@H]1O)SCCCCCCCCCCCCCCCC(=O)O	420000	nM
P04062	CHEMBL3393928	OC[C@H]1O[C@@H]2N=C(O[C@@H]2[C@@H](O)[C@@H]1O)SCCCCCCCCCCCCCCCCI	1000000	nM
P04062	CHEMBL3393928	OC[C@H]1O[C@@H]2N=C(O[C@@H]2[C@@H](O)[C@@H]1O)SCCCCCCCCCCCCCCCCI	230000	nM
P04062	CHEMBL3393927	COC(=O)CCCCCCCCCCCCCCCSC1=N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1	300000	nM
P04062	CHEMBL3735899	Cl.CCCCCCCCN[C@@H]1C=C(C)[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3735383	Cl.CCCCCCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3735277	Cl.CCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3736146	Cl.CCCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3736317	Cl.CCCCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3736274	Cl.CCCCCCCCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3736474	Cl.OCCCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3736333	Cl.CC(C)CN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3736234	Cl.CCC(CC)CN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3735278	Cl.O[C@H]1C=C[C@@H](NCC2CCCCC2)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3735749	Cl.O[C@H]1C=C[C@@H](NCc2ccccc2)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3736331	Cl.CCC(CC)N[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3734817	Cl.O[C@H]1C=C[C@@H](NC2CCCCC2)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3736427	Cl.CC(C)CCN[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O	1000000	nM
P04062	CHEMBL3735475	Cl.O[C@H]1C=C[C@@H](NCCc2ccccc2)[C@H](O)[C@H]1O	1000000	nM
P35968	CHEMBL1668414	COc1cc(O)c2C(=O)O[C@@H](C)C[C@@H](Br)CC(=O)CCC\C=C\c2c1	100000	nM
P35968	CHEMBL594320	COc1ccccc1C(=CC2=COC3=NC(=N)NC(=C23)N)C4CC4	500000	nM
P35968	CHEMBL603849	CCC(C)C(=CC1=COC2=NC(=N)NC(=C12)N)c3ccccc3OC	500000	nM
P35968	CHEMBL190443	COc1cc(OC)cc(c1)C2Cc3cnc(cc3N=C2NC(=O)NC(C)(C)C)N(CCCCCOCc4ccccc4)C(=O)C	55000	nM
P35968	CHEMBL1095445	Nc1nc(Nc2cccc(c2)C(F)(F)F)c3cc(Cc4ccc(Cl)cc4Cl)[nH]c3n1	300000	nM
P35968	CHEMBL1094475	Nc1nc(Nc2cccc(c2)C#C)c3cc(Cc4ccc(Cl)cc4Cl)[nH]c3n1	85600	nM
P35968	CHEMBL1098440	Clc1ccc(Cc2cc3c(Nc4cccc(c4)C#C)ncnc3[nH]2)c(Cl)c1	300000	nM
P35968	CHEMBL1094784	FC(F)(F)c1cccc(Nc2ncnc3[nH]c(Cc4ccc(Cl)cc4Cl)cc23)c1	300000	nM
P35968	CHEMBL593154	COc1ccccc1C(=CC2=COC3=NC(=N)NC(=C23)N)CC(C)C	500000	nM
P35968	CHEMBL606362	COc1ccccc1C(CC(C)C)Cc2coc3nc(N)nc(N)c23	500000	nM
P35968	CHEMBL594339	CCC(C)C(Cc1coc2nc(N)nc(N)c12)c3ccccc3OC	500000	nM
P35968	CHEMBL209912	CC(C)N1CCN(Cc2ccc3Cc4c(n[nH]c4c3c2)c5ccsc5)CC1	190000	nM
P35968	CHEMBL211089	O=CN1CCN(Cc2ccc3Cc4c(n[nH]c4c3c2)c5ccsc5)CC1	665000	nM
P35968	CHEMBL213014	C(c1ccc2Cc3c(n[nH]c3c2c1)c4ccsc4)n5cncn5	108000	nM
P35968	CHEMBL553	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC	124700	nM
P35968	CHEMBL553	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC	124700	nM
P35968	CHEMBL553	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC	124700	nM
P35968	CHEMBL553	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC	124700	nM
P35968	CHEMBL553	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC	124700	nM
P35968	CHEMBL378007	CN1CCN(CC1)C(=O)c2ccc3Cc4c(n[nH]c4c3c2)c5ccsc5	4081000	nM
P35968	CHEMBL1095776	CC(C)c1ccccc1Nc2nc(N)nc3[nH]c(Cc4ccc(Cl)cc4Cl)cc23	300000	nM
P35968	CHEMBL554	CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL200796	COC(=O)c1cc2c(Nc3ccccc3)[nH]nc2s1	100000	nM
P35968	CHEMBL605413	CCCC(Cc1coc2nc(N)nc(N)c12)c3ccccc3OC	500000	nM
P35968	CHEMBL199658	Cc1n[nH]c2sc(C(=O)N)c(NC(=O)c3ccc(Cl)cc3)c12	100000	nM
P35968	CHEMBL212084	C(c1ccc2Cc3c(n[nH]c3c2c1)c4ccsc4)n5ccnc5	147000	nM
P35968	CHEMBL1094782	COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)ncnc3[nH]2)c1	300000	nM
P35968	CHEMBL1093100	Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1	56300	nM
P35968	CHEMBL538346	Cl.Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2	100000	nM
P35968	CHEMBL541643	Cl.Oc1cccc(c1)c2nc(N3CCOCC3)c4sccc4n2	91000	nM
P35968	CHEMBL379103	CN1CCN(CC1)c2ccc3c(Cc4c(n[nH]c34)c5cccs5)c2	1005000	nM
P35968	CHEMBL515982	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P35968	CHEMBL458248	CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(=O)C)c4oc5cc(O)c(O)cc5c14	66000	nM
P35968	CHEMBL193456	CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1	100000	nM
P35968	CHEMBL1668416	COc1cc(O)c2C(=O)O[C@@H](C)C[C@@H](Cl)CC(=O)CCC\C=C/c2c1	82000	nM
P35968	CHEMBL604879	CCCCC(=CC1=COC2=NC(=N)NC(=C12)N)c3ccccc3OC	500000	nM
P35968	CHEMBL200348	COC(=O)c1cc2c(CN3CCCCC3)n[nH]c2s1	100000	nM
P35968	CHEMBL464351	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P35968	CHEMBL1094783	Clc1ccc(Cc2cc3c(Nc4cccc(Br)c4)ncnc3[nH]2)c(Cl)c1	300000	nM
P35968	CHEMBL193643	Nc1nc(Nc2ccc(cc2)S(=O)(=O)N)ccc1C(=O)c3c(F)cccc3F	100000	nM
P35968	CHEMBL215901	CN1CCN(CCc2ccc3Cc4c(n[nH]c4c3c2)c5ccsc5)CC1	143000	nM
P35968	CHEMBL594810	COc1ccccc1C(=CC2=COC3=NC(=N)NC(=C23)N)C(C)C	500000	nM
P35968	CHEMBL1094808	Nc1nc(Nc2ccc(c(F)c2)C(F)(F)F)c3cc(Cc4ccc(Cl)cc4Cl)[nH]c3n1	113100	nM
P35968	CHEMBL594790	CCCCC(Cc1coc2nc(N)nc(N)c12)c3ccccc3OC	500000	nM
P35968	CHEMBL199657	Cc1n[nH]c2sc(C(=O)N)c(NC(=O)c3cccc(Cl)c3)c12	100000	nM
P35968	CHEMBL213531	CCN(CC)Cc1ccc2Cc3c(n[nH]c3c2c1)c4ccsc4	824000	nM
P35968	CHEMBL377327	C(c1ccc2Cc3c(n[nH]c3c2c1)c4ccsc4)n5ccnn5	190000	nM
P35968	CHEMBL1668413	COc1cc(O)c2C(=O)O[C@@H](C)C[C@@H](Cl)CC(=O)CCCCCc2c1	93000	nM
P35968	CHEMBL456294	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P35968	CHEMBL1929557	COc1ccc(OC)c(Cc2cc3c(Nc4ccc(Cl)cc4)nc(N)nc3[nH]2)c1	56700	nM
P35968	CHEMBL1956894	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4ccc(Cl)c(Cl)c4)c3n1	64500	nM
P35968	CHEMBL1956891	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4ccc(Cl)cc4)c3n1	65300	nM
P35968	CHEMBL1956889	Cc1ccccc1Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23	113400	nM
P35968	CHEMBL1956892	COc1ccc(OC)c(Cn2ccc3c(Nc4cccc(Br)c4)nc(N)nc23)c1	200000	nM
P35968	CHEMBL1956893	Nc1nc(Nc2cccc(Br)c2)c3ccn(Cc4ccc(Cl)cc4Cl)c3n1	200000	nM
P35968	CHEMBL2047242	Nc1nc2Cc3ccccc3c2c(Nc4cccc(Cl)c4)n1	133900	nM
P35968	CHEMBL2047243	Nc1nc2Cc3ccccc3c2c(Nc4ccccc4)n1	171200	nM
P35968	CHEMBL2047246	Nc1nc2Cc3ccccc3c2c(Nc4cccc(F)c4)n1	55700	nM
P35968	CHEMBL2047252	Nc1nc2Cc3ccccc3c2c(Nc4ccc(F)c(Cl)c4)n1	72900	nM
P35968	CHEMBL2047253	Nc1nc2Cc3ccccc3c2c(Nc4ccc(Cl)cc4F)n1	197100	nM
P35968	CHEMBL2047241	Nc1nc2Cc3ccccc3c2c(Nc4ccc(F)cc4)n1	89300	nM
P35968	CHEMBL2047248	Nc1nc2Cc3ccccc3c2c(Nc4cccc(Br)c4)n1	200000	nM
P35968	CHEMBL2069625	Cc1oc(nc1COc2cccc(CO)c2)c3ccccc3	100000	nM
P35968	CHEMBL2047247	Nc1nc2Cc3ccccc3c2c(Nc4ccc(Cl)cc4)n1	200000	nM
P35968	CHEMBL2047244	CC(C)c1ccccc1Nc2nc(N)nc3Cc4ccccc4c23	200000	nM
P35968	CHEMBL2047250	Nc1nc2Cc3ccccc3c2c(Nc4ccc(cc4)C(F)(F)F)n1	200000	nM
P35968	CHEMBL2113092	CCCCOc1cc(Nc2ccc(cc2)S(=O)(=O)N)nc(N)c1C(=O)c3c(F)cccc3F	100000	nM
P35968	CHEMBL2069624	FC(F)(F)c1cccc(NC(=O)Nc2ccccc2Cl)c1	100000	nM
P35968	CHEMBL2338335	CN1C[C@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
P35968	CHEMBL2216905	CCOC(=O)C(=O)N(Cc1cccc(F)c1)c2ccc3OC(C)(COc4ccc(cc4)C(=N)N)CN(C)c3c2.OC(=O)C(F)(F)F	80000	nM
P35968	CHEMBL2338334	CN1C[C@@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
P35968	CHEMBL2337365	Nc1nc(Nc2cccc(F)c2)c3c(n1)[nH]c4cccc(Cl)c34	86100	nM
P35968	CHEMBL2337366	COc1cccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)c1	70100	nM
P35968	CHEMBL2335019	CC(C)(C)C(=O)Nc1nc(Nc2ccc(F)c(c2)C(F)(F)F)c3cc(CCc4ccccn4)[nH]c3n1	150900	nM
P35968	CHEMBL2335017	CC(C)(C)C(=O)Nc1nc(Nc2cccc(c2)C#C)c3cc(CCc4ccccn4)[nH]c3n1	125600	nM
P35968	CHEMBL2337374	Nc1nc(Nc2ccccc2)c3c(n1)[nH]c4cccc(Cl)c34	123800	nM
P35968	CHEMBL2335015	CC(C)(C)C(=O)Nc1nc(Nc2ccc(F)c(Br)c2)c3cc(CCc4ccccn4)[nH]c3n1	200000	nM
P35968	CHEMBL2337367	CC(C)(C)C(=O)Nc1nc(Nc2ccccc2)c3c(n1)[nH]c4cccc(Cl)c34	192000	nM
P35968	CHEMBL2335378	Nc1nc(Nc2ccc(F)c(Cl)c2)c3cc(CCc4ccccn4)[nH]c3n1	200000	nM
P35968	CHEMBL2335014	Nc1nc(Nc2ccc(F)c(c2)C(F)(F)F)c3cc(CCc4ccccn4)[nH]c3n1	124500	nM
P35968	CHEMBL2335016	CC(C)(C)C(=O)Nc1nc(Nc2ccc(F)c(Cl)c2)c3cc(CCc4ccccn4)[nH]c3n1	89300	nM
P35968	CHEMBL2407517	CCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23	100000	nM
P35968	CHEMBL2407516	CN(C)CCNCCNc1ccc2C(=O)N(C)C(=O)c3cccc1c23	100000	nM
P35968	CHEMBL2407635	CCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23	100000	nM
P35968	CHEMBL2407519	CCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23	100000	nM
P35968	CHEMBL2337370	CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2F)c3c(n1)[nH]c4cccc(Cl)c34	89100	nM
P35968	CHEMBL2407518	CCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23	100000	nM
P35968	CHEMBL2377495	CSc1nc2nnnc(Cl)c2s1	50118.72	nM
P35968	CHEMBL3098324	COc1cc2nc(Cl)nc(Nc3ccc(cc3)C(=O)O)c2cc1OC	100000	nM
P35968	CHEMBL3128227	C[C@@H](Nc1ncnc2c1cnn2CCc3ccccc3)c4ccccc4	52500	nM
P35968	CHEMBL3098315	COc1cc2nc(Cl)nc(Nc3ccc(cc3)S(=O)(=O)C)c2cc1OC	100000	nM
P35968	CHEMBL3098316	CS(=O)(=O)c1ccc(Nc2nc(Cl)nc3cc4OCOc4cc23)cc1	100000	nM
P35968	CHEMBL3098320	CN(C)c1ccc(Nc2nc(Cl)nc3cc4OCOc4cc23)cc1	100000	nM
P35968	CHEMBL3098314	CN(C)S(=O)(=O)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1	100000	nM
P35968	CHEMBL3098311	Clc1nc(Nc2ccc(cc2)S(=O)(=O)Nc3nccs3)c4cc5OCOc5cc4n1	100000	nM
P35968	CHEMBL3098323	COc1cc2nc(Cl)nc(Nc3ccc(cc3)S(=O)(=O)O)c2cc1OC	100000	nM
P35968	CHEMBL3236670	CC(=O)CC1(O)C(=O)c2c(oc3cc(O)c(O)cc23)c4oc5cc(O)c(O)cc5c14	52000	nM
P35968	CHEMBL3236668	Oc1cc2oc3C(=O)c4c(oc5cc(O)c(O)cc45)C(=O)c3c2cc1O	70000	nM
P35968	CHEMBL3318029	Cn1cc(cn1)c2cnc3ccc(NC(=O)NCc4ccccc4)nc3c2	100000	nM
P35968	CHEMBL3318024	CCNC(=O)Nc1ccc2ncc(cc2n1)c3ccc(OC)c(OC)c3	100000	nM
P35968	CHEMBL3344215	CS(=O)(=O)C[C@@H](N)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344209	CS(=O)(=O)CC(N)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344213	CC(C)NC(CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344214	CS(=O)(=O)CCNC(CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344217	CCC(=O)ON[C@H](CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344216	CN(C)[C@H](CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344218	CCCCC(=O)ON[C@H](CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344219	CCCCCCC(=O)ON[C@H](CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344208	CN(C)C(CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344220	CS(=O)(=O)C[C@H](N)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344221	CN(C)[C@@H](CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344212	CS(=O)(=O)CC(NC1CCCCC1)c2oc(cc2)c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3	200000	nM
P35968	CHEMBL3344210	CNC(CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3344211	CCNC(CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P35968	CHEMBL3318025	COc1ccc(cc1OC)c2cnc3ccc(NC(=O)NC(C)(C)C)nc3c2	100000	nM
P35968	CHEMBL3318027	Cn1cc(cn1)c2cnc3ccc(NC(=O)NC(C)(C)C)nc3c2	100000	nM
P35968	CHEMBL3318028	Cn1cc(cn1)c2cnc3ccc(NC(=O)Nc4ccccc4)nc3c2	100000	nM
P35968	CHEMBL3318026	COc1cc(ccc1O)c2cnc3ccc(NC(=O)NC(C)(C)C)nc3c2	100000	nM
P35968	CHEMBL3318030	Cn1cc(cn1)c2cnc3ccc(NC(=O)NCCc4ccccc4)nc3c2	100000	nM
P35968	CHEMBL3318023	CCNC(=O)Nc1ccc2ncc(cc2n1)c3ccc(OC)cc3	100000	nM
P35968	CHEMBL3358994	COc1cc(cc(OC)c1OC)C2=NC(=CNC2=O)c3cccc(Cl)c3	56000	nM
P35968	CHEMBL3633691	CCS(=O)(=O)c1ccc(OC)c(Nc2cn(nn2)c3ccc(NC(=O)N)c(c3)c4cccc5ccccc45)c1	100000	nM
P35968	CHEMBL3633274	COc1ccc(cc1NC(=O)Nc2cc(ccc2OC(F)(F)F)c3ccc4[nH]ccc4c3)C(=O)OCCN(C)C	53000	nM
P35968	CHEMBL3633276	COc1ccc(cc1NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cncnc3)C(=O)OCCN(C)C	51900	nM
P35968	CHEMBL3633282	COc1ccc(cc1NC(=O)Nc2cc(ccc2OC(F)(F)F)c3ccc4[nH]ccc4c3)C(=O)OCCN(C(C)C)C(C)C	500000	nM
P35968	CHEMBL3633283	COc1ccc(cc1NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cncnc3)C(=O)OCCN(C(C)C)C(C)C	500000	nM
P35968	CHEMBL3633284	COc1ccc(cc1NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cn[nH]c3)C(=O)OCCN(C(C)C)C(C)C	500000	nM
P35968	CHEMBL3633695	CCS(=O)(=O)c1ccc(OC)c(Nc2cn(nn2)c3cccc(c3)c4cccnc4)c1	100000	nM
P35968	CHEMBL3633285	COc1ccc(cc1NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cnn(C)c3)C(=O)OCCN(C(C)C)C(C)C	500000	nM
P35968	CHEMBL3633272	COc1ccc(cc1NC(=O)Nc2cc(cc(c2)C(F)(F)F)c3cncnc3)C(=O)OCCN(C)C	500000	nM
P35968	CHEMBL3633279	CCN(CC)CCOC(=O)c1ccc(OC)c(NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cncnc3)c1	500000	nM
P35968	CHEMBL3633281	COc1ccc(cc1NC(=O)Nc2cc(cc(c2)C(F)(F)F)c3ccc4[nH]ccc4c3)C(=O)OCCN(C(C)C)C(C)C	500000	nM
P35968	CHEMBL3633287	COc1ccc(cc1NC(=O)Nc2cc(cc(c2)C(F)(F)F)c3ccc4[nH]ccc4c3)C(=O)OCCN5CCOCC5	500000	nM
P35968	CHEMBL3633286	COc1ccc(cc1NC(=O)Nc2cc(cc(c2)C(F)(F)F)c3cccnc3)C(=O)OCCN4CCOCC4	500000	nM
P35968	CHEMBL3612224	O=C(Nc1ccccc1)Nc2ccccc2Sc3ccnc4ccsc34	100000	nM
P35968	CHEMBL3612225	COc1ccc(NC(=O)Nc2ccccc2Sc3ccnc4ccsc34)cc1	100000	nM
P35968	CHEMBL3612226	O=C(Nc1ccc(cc1)C#N)Nc2ccccc2Sc3ccnc4ccsc34	100000	nM
P35968	CHEMBL3694673	Nc1nc(ncc1F)c2ccn3c(cnc3c2)c4cc(NC(=O)NCC(F)(F)F)cc(OC5CCCC5)c4	100000	nM
P35968	CHEMBL3780358	COc1cccc(NC(=O)Nc2cncc3nc(cnc23)c4ccccc4)c1	100000	nM
P35968	CHEMBL3781939	COc1ccc(NC(=O)Nc2cncc3nc(cnc23)c4ccccc4)cc1	100000	nM
P35968	CHEMBL3780151	Fc1ccc(Nc2cncc3nc(cnc23)c4ccccc4)cc1Cl	100000	nM
P35968	CHEMBL3781538	C1CCN(CC1)c2ccc(cc2)c3cnc4c(Nc5ccccc5)cncc4n3	100000	nM
P35968	CHEMBL3782023	COc1cccc(Nc2cncc3nc(cnc23)c4ccc(cc4)N5CCCCC5)c1	100000	nM
P35968	CHEMBL3780768	COc1cccc(NC(=O)Nc2nccc3nc(cnc23)c4ccccc4)c1	100000	nM
P35968	CHEMBL3780985	CCNC(=O)Nc1nccc2nc(cnc12)c3ccccc3	100000	nM
P35968	CHEMBL3780350	C#Cc1cccc(Nc2nccc3nc(cnc23)c4ccccc4)c1	100000	nM
P35968	CHEMBL3781584	COc1cccc(Nc2nccc3nc(cnc23)c4ccccc4)c1	100000	nM
P35968	CHEMBL3781566	COc1ccc(Nc2nccc3nc(cnc23)c4ccccc4)cc1	100000	nM
P35968	CHEMBL3781159	COc1cccc(Nc2cc3nc(cnc3cn2)c4ccccc4)c1	100000	nM
P35968	CHEMBL3780543	C1CN(CCO1)c2ccc(Nc3cc4nc(cnc4cn3)c5ccccc5)cc2	100000	nM
P35968	CHEMBL3780571	C1CCN(CC1)c2ccc(Nc3cc4ncc(nc4cn3)c5ccccc5)cc2	100000	nM
P08684	CHEMBL600058	COCCCNc1nc2cc(C)c(C)cc2n1CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C	97000	nM
P08684	CHEMBL498373	COc1cc(\C=C\2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)\C2=O)cc(OC)c1O	38282474.33	nM
P08684	CHEMBL103320	Cc1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL470049	C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1OC(=O)C	90000	nM
P08684	CHEMBL1241912	CNC(=O)c1ncn2c1COc3c(CCN4CCN(CC4)c5cccc6nc(C)ccc56)cccc23	82000	nM
P08684	CHEMBL1241912	CNC(=O)c1ncn2c1COc3c(CCN4CCN(CC4)c5cccc6nc(C)ccc56)cccc23	100000	nM
P08684	CHEMBL602483	O[C@@H](CN1[C@H](COc2c1cccc2c3cccc(OC(F)(F)F)c3)c4cccc(OC(F)(F)C(F)F)c4)C(F)(F)F	100000	nM
P08684	CHEMBL602483	O[C@@H](CN1[C@H](COc2c1cccc2c3cccc(OC(F)(F)F)c3)c4cccc(OC(F)(F)C(F)F)c4)C(F)(F)F	100000	nM
P08684	CHEMBL390526	Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1	100000	nM
P08684	CHEMBL493001	COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O	76032627.69	nM
P08684	CHEMBL317798	CCCOc1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL179399	C[n+]1c[nH]cc1c2cccnc2	262000	nM
P08684	CHEMBL1232887	Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4	100000	nM
P08684	CHEMBL266158	c1ccncc1	4000000	nM
P08684	CHEMBL197202	CC(C(=O)O)c1ccc(c(F)c1)c2ccc(cc2)c3ccc(O)cc3	74000	nM
P08684	CHEMBL254592	C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O	100000	nM
P08684	CHEMBL501119	CC1=C[C@@H](O)[C@@]23O[C@]2(C)C[C@@H]4OC(=O)C(=C4C[C@@H]13)C	98200	nM
P08684	CHEMBL221542	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C	100000	nM
P08684	CHEMBL217716	ONC(=O)c1ccc(s1)c2ccn(CCNCc3ccc4OCOc4c3)n2	53000	nM
P08684	CHEMBL146826	CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	100000	nM
P08684	CHEMBL146826	CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	55000	nM
P08684	CHEMBL286272	CCNC(=O)c1c2CCCCn2c3c(ncnc13)N4CCN(CCc5ccc(F)c(F)c5)CC4	100000	nM
P08684	CHEMBL489480	C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc4cccc(c4)C#N)cc2)CCN1	58000	nM
P08684	CHEMBL590750	COc1c(cc(cc1C(C)(C)C)C(=O)Cn2c(NCCCO)nc3cc(C)c(C)cc23)C(C)(C)C	67000	nM
P08684	CHEMBL489095	C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc4cccc(F)c4)cc2)CCN1	69000	nM
P08684	CHEMBL523933	C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc4cccc(F)c4)cc2)CCN1	69000	nM
P08684	CHEMBL407034	Cc1cc(\C=C\C(=O)\C=C\c2cc(C)c(O)c(C)c2)cc(C)c1O	40271703.43	nM
P08684	CHEMBL179589	Cc1ccc(nc1)c2cccnc2	84230	nM
P08684	CHEMBL372751	CC1(C)CCC(CC1)c2ccc(cc2)c3ccc(cc3F)C4(CC4)C(=O)O	84000	nM
P08684	CHEMBL103163	CC(C)(C)c1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL442398	COc1ccc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc4csc(C)n4)C(C)C)[C@@H](C2)C(=O)NC(C)(C)C)cc1OC	120000	nM
P08684	CHEMBL101180	CC(C)c1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL372846	OC(=O)C1(CC1)c2ccc(c(F)c2)c3ccc(c(F)c3)c4ccc(O)cc4	58000	nM
P08684	CHEMBL297784	Cn1ccc2cc3N(CCc3cc12)C(=O)Nc4cccnc4	100000	nM
P08684	CHEMBL178681	NCc1ccc(s1)c2cccnc2.N=Cc3ccc(s3)c4cccnc4.N=Cc5ccc(s5)c6cccnc6	77500	nM
P08684	CHEMBL425519	Cc1cscc1c2ccc(F)nc2	114000	nM
P08684	CHEMBL361364	CCn1cnc(c1)c2cccnc2	79200	nM
P08684	CHEMBL223079	Fc1ccc(cc1)C2(CN(C3CCN(Cc4cccc(Cl)c4)CC3)C(=O)N2)c5ccc(F)cc5	100000	nM
P08684	CHEMBL225411	FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC3CCOCC3	100000	nM
P08684	CHEMBL270361	COc1cc(\C=C\2/CC\C(=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O	64863443.35	nM
P08684	CHEMBL270361	COc1cc(\C=C\2/CC\C(=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O	64900	nM
P08684	CHEMBL178516	c1cncc(c1)c2c[nH]cn2	139900	nM
P08684	CHEMBL178516	c1cncc(c1)c2c[nH]cn2	139900	nM
P08684	CHEMBL244403	CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c4ccccc14	200000	nM
P08684	CHEMBL360541	NCC#Cc1cccnc1	365000	nM
P08684	CHEMBL360541	NCC#Cc1cccnc1	128000	nM
P08684	CHEMBL470048	C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](OC(=O)C)[C@H]1O	98300	nM
P08684	CHEMBL503727	C\C\1=C/[C@H](O)C[C@@]2(C)O[C@@H]2CC(C)(C)\C=C\C1=O	62500	nM
P08684	CHEMBL267865	CCCCc1ccc(\N=C\NO)c(C)c1	71000	nM
P08684	CHEMBL178878	c1cnc(nc1)c2cccnc2	400000	nM
P08684	CHEMBL400494	C[C@@]12C[C@H](OC(=O)[C@@]1(O)C[C@H]3OC(=O)[C@@]4(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=CC[C@@H]2[C@@]34C)c6cocc6	100000	nM
P08684	CHEMBL448743	O=C1CCc2cc(ccc12)c3cccnc3	200000	nM
P08684	CHEMBL376722	CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2C)CC1	100000	nM
P08684	CHEMBL227899	FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC3CCC3	75000	nM
P08684	CHEMBL179704	Cc1cscc1c2cccnc2	80900	nM
P08684	CHEMBL374350	Cc1cc2nc(NCCCO)n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2cc1C	85000	nM
P08684	CHEMBL453384	CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1F	100000	nM
P08684	CHEMBL445120	ON\C=N\c1ccc(Cc2ccccc2)cc1	100000	nM
P08684	CHEMBL360999	Cn1cnc(c1)c2cccnc2	261900	nM
P08684	CHEMBL360999	Cn1cnc(c1)c2cccnc2	262000	nM
P08684	CHEMBL325429	CN(C)CCOc1ccc(cc1)n2ccnc2	100000	nM
P08684	CHEMBL1235	CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	100000	nM
P08684	CHEMBL1235	CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	100000	nM
P08684	CHEMBL100917	CCCCc1ccccc1\N=C\NO	51000	nM
P08684	CHEMBL498371	CC(C)c1cc(\C=C\2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)\C2=O)cc(C(C)C)c1O	77600	nM
P08684	CHEMBL498371	CC(C)c1cc(\C=C\2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)\C2=O)cc(C(C)C)c1O	77624711.66	nM
P08684	CHEMBL147806	CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	100000	nM
P08684	CHEMBL518591	CN1CCc2cc3ccn(c3cc2CC1)S(=O)(=O)c4cccc(Cl)c4	71000	nM
P08684	CHEMBL478902	Cc1ccn(n1)c2ccc(C(=O)N3CCC(F)(F)\C(=C/C(=O)O)\c4ccccc34)c(Cl)c2	100000	nM
P08684	CHEMBL222424	Fc1ccc(cc1)C2(CN(C3CCN(Cc4ccccc4)CC3)C(=O)N2)c5ccc(F)cc5	91900	nM
P08684	CHEMBL1208892	C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3cc(ccc23)c4ccnc(N)n4)c5ccccc5C(F)(F)F	100000	nM
P08684	CHEMBL226386	FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC3CCCC3	65000	nM
P08684	CHEMBL179005	Fc1ccc(cn1)c2ccsc2	114000	nM
P08684	CHEMBL179005	Fc1ccc(cn1)c2ccsc2	114000	nM
P08684	CHEMBL1271520	O=C(N[C@@H]1CN2CCC1CC2)c3cccc4oc(nc34)N5CCOCC5	100000	nM
P08684	CHEMBL25948	CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1	77700	nM
P08684	CHEMBL103313	CCCCc1ccc(N\C=N\O)cc1	65000	nM
P08684	CHEMBL156339	COc1cc(OC)c(cc1OC)[C@@H]2[C@H](C)[C@@H](C)[C@H]2c3cc(OC)c(OC)cc3OC	85400	nM
P08684	CHEMBL1684585	Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c4ccccc4)cc2)cs1	100000	nM
P08684	CHEMBL1684585	Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c4ccccc4)cc2)cs1	100000	nM
P08684	CHEMBL45816	COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc4cc(F)ccc4[C@@H]1C(C)C	140000	nM
P08684	CHEMBL368883	Cc1nccn1c2cccnc2	152000	nM
P08684	CHEMBL368883	Cc1nccn1c2cccnc2	152000	nM
P08684	CHEMBL364738	CC(C)(C(=O)O)c1ccc(c(F)c1)c2ccc(cc2)C3CCCCC3	59000	nM
P08684	CHEMBL62811	O=C1CCc2cc(ccc2N1)c3cccnc3	127000	nM
P08684	CHEMBL213221	Cc1cc(nn1Cc2cc(Br)ccc2OCc3ccccc3)C(=O)O	100000	nM
P08684	CHEMBL178330	O\N=C/c1oc(cc1)c2cccnc2	400000	nM
P08684	CHEMBL179618	c1cncc(c1)c2cccs2	57000	nM
P08684	CHEMBL114555	CCOC(=O)N1CCN(CCOc2ccc(cc2)n3ccnc3)CC1	100000	nM
P08684	CHEMBL276140	CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F	100000	nM
P08684	CHEMBL276140	CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F	100000	nM
P08684	CHEMBL239099	OC=O.O=C(N1CCN(C(=O)C1)c2ccc(OC3CCN(CC3)C4CCC4)cc2)c5ccc(cc5)C#N	100000	nM
P08684	CHEMBL239099	OC=O.O=C(N1CCN(C(=O)C1)c2ccc(OC3CCN(CC3)C4CCC4)cc2)c5ccc(cc5)C#N	100000	nM
P08684	CHEMBL239299	C[C@@H]1CCCN1CCCOc2ccc(cc2)N3CCN(CC3=O)C(=O)c4ccc(F)cc4F.OC=O	100000	nM
P08684	CHEMBL239299	C[C@@H]1CCCN1CCCOc2ccc(cc2)N3CCN(CC3=O)C(=O)c4ccc(F)cc4F.OC=O	100000	nM
P08684	CHEMBL239299	C[C@@H]1CCCN1CCCOc2ccc(cc2)N3CCN(CC3=O)C(=O)c4ccc(F)cc4F.OC=O	100000	nM
P08684	CHEMBL249243	C[C@@]12C[C@H](OC(=O)[C@@]1(O)C[C@H]3OC(=O)[C@]4(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=CC[C@@H]2[C@@]34C)c6cocc6	100000	nM
P08684	CHEMBL1630	Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	100000	nM
P08684	CHEMBL1630	Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	100000	nM
P08684	CHEMBL392465	CC(=O)N1CCC(CC1)C(=O)N2C[C@@H]([C@H](C2)c3ccc(F)cc3C)c4noc(n4)C(C)(C)c5cc(cc(c5)C(F)(F)F)C(F)(F)F	100000	nM
P08684	CHEMBL534958	Cl.O=C(N1CCN(C(=O)C1)c2ccc(OCCCN3CCCCC3)cc2)c4ccc(cc4)C#N	100000	nM
P08684	CHEMBL551991	Cc1oc2ccc(cc2c1)\N=C(\NC#N)/N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O	200000	nM
P08684	CHEMBL484029	CC(C)CC(=O)c1c(O)cc(O)cc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O	120000	nM
P08684	CHEMBL225413	Fc1c(Cl)cccc1Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F	100000	nM
P08684	CHEMBL225464	Fc1ccc(Cl)cc1Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F	68000	nM
P08684	CHEMBL469851	C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1O	55800	nM
P08684	CHEMBL469431	C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](OC(=O)C)[C@H](O)[C@H]1O	59000	nM
P08684	CHEMBL179477	c1cncc(c1)n2ccnc2	109000	nM
P08684	CHEMBL179477	c1cncc(c1)n2ccnc2	77540	nM
P08684	CHEMBL178780	C(c1ccccc1)n2cnc(c2)c3cccnc3	75100	nM
P08684	CHEMBL178711	C(NCc1ccc(s1)c2cccnc2)c3ccc(s3)c4cccnc4	400000	nM
P08684	CHEMBL14563	Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl	100000	nM
P08684	CHEMBL14563	Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl	100000	nM
P08684	CHEMBL101296	CCc1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL14460	Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F	100000	nM
P08684	CHEMBL359657	NCc1ccc(s1)c2cccnc2	58720	nM
P08684	CHEMBL359657	NCc1ccc(s1)c2cccnc2	56990	nM
P08684	CHEMBL359657	NCc1ccc(s1)c2cccnc2	58700	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	62000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	220000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	146000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	80000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	110000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	220000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	110000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	190000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	100000	nM
P08684	CHEMBL295698	CC(=O)N1CCN(CC1)c2ccc(OC[C@@H]3CO[C@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2	57000	nM
P08684	CHEMBL226067	FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC3CCCCC3	82000	nM
P08684	CHEMBL240528	C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O	100000	nM
P08684	CHEMBL476572	CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c4ccnc(Nc5cccc(c5)S(=O)(=O)N)n4	74000	nM
P08684	CHEMBL476572	CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c4ccnc(Nc5cccc(c5)S(=O)(=O)N)n4	79000	nM
P08684	CHEMBL398472	C[C@@]12C[C@@H](OC(=O)[C@@H]1[C@@H](O)C[C@]3(C)[C@H]2[C@@H]4OC(=O)[C@@]3(O)[C@H]5O[C@@H]45)c6cocc6	100000	nM
P08684	CHEMBL399731	C[C@@]12C[C@@H](OC(=O)C1=CC[C@]3(C)[C@H]2[C@@H]4OC(=O)[C@@]3(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]6O[C@@H]46)c7cocc7	100000	nM
P08684	CHEMBL221959	C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N	52000	nM
P08684	CHEMBL1631540	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc(c4)N5CCNC5=O)CC3	67000	nM
P08684	CHEMBL1256004	NCCc1cccnc1	5000000	nM
P08684	CHEMBL452101	Oc1ccc(\C=C\2/CC\C(=C/c3ccc(O)cc3)\C2=O)cc1	5105050	nM
P08684	CHEMBL1230001	OC(=O)c1ccccc1NC(=O)N2CCC(CC2)c3ccccc3C(F)(F)F	100000	nM
P08684	CHEMBL100899	CCC(C)c1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL194838	OC(=O)C1(CC1)c2ccc(c(F)c2)c3ccc(cc3)C4CCCCC4	59000	nM
P08684	CHEMBL178781	Cc1cn(cn1)c2cccnc2	109000	nM
P08684	CHEMBL320105	CCCCCCOc1ccc(cn1)n2ccnc2	76900	nM
P08684	CHEMBL103651	Cc1ccccc1\N=C\NO	100000	nM
P08684	CHEMBL564085	CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)C)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C	61000	nM
P08684	CHEMBL317935	C[C@H](NC(=O)\C=C\c1ccccc1)c2cccc(c2)N3CCOCC3	96000	nM
P08684	CHEMBL317935	C[C@H](NC(=O)\C=C\c1ccccc1)c2cccc(c2)N3CCOCC3	62000	nM
P08684	CHEMBL317935	C[C@H](NC(=O)\C=C\c1ccccc1)c2cccc(c2)N3CCOCC3	76000	nM
P08684	CHEMBL502	COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC	54680	nM
P08684	CHEMBL319862	CCCCc1ccc(C)c(N\C=N\O)c1	94000	nM
P08684	CHEMBL446083	CN1C(=O)CCc2cc(ccc12)c3cccnc3	200000	nM
P08684	CHEMBL1272072	O=C(N[C@@H]1CN2CCC1CC2)c3cccc4oc(nc34)C5CC5	100000	nM
P08684	CHEMBL251672	C[C@@]12C[C@@H](OC(=O)[C@@H]1CC[C@]3(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2CC=CC3=O)c5cocc5	100000	nM
P08684	CHEMBL497137	CCc1cc(\C=C\2/CC\C(=C/c3cc(CC)c(O)c(CC)c3)\C2=O)cc(CC)c1O	73451386.82	nM
P08684	CHEMBL497137	CCc1cc(\C=C\2/CC\C(=C/c3cc(CC)c(O)c(CC)c3)\C2=O)cc(CC)c1O	73500	nM
P08684	CHEMBL225465	Fc1cc(Cl)ccc1Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F	100000	nM
P08684	CHEMBL440464	CN1CCCC1c2cccnc2	142400	nM
P08684	CHEMBL218583	OC(=O)c1c(O)c(nc2c(cccc12)c3ccccc3)c4ccc(Cl)cc4	55000	nM
P08684	CHEMBL373751	COc1cc2ncn(c3cc(OCc4ccccc4S(=O)(=O)C)c(C#N)s3)c2cc1OC	50118.72	nM
P08684	CHEMBL348475	COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c5cnc6ccccc6c5)cc3)Cc2cc1OC	100000	nM
P08684	CHEMBL348475	COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c5cnc6ccccc6c5)cc3)Cc2cc1OC	100000	nM
P08684	CHEMBL147587	CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	100000	nM
P08684	CHEMBL147587	CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	100000	nM
P08684	CHEMBL178547	O\N=C\c1oc(cc1)c2cccnc2	400000	nM
P08684	CHEMBL179763	c1cncc(c1)c2cccnc2	64700	nM
P08684	CHEMBL361153	c1cncc(c1)c2ccsc2	55910	nM
P08684	CHEMBL361153	c1cncc(c1)c2ccsc2	56900	nM
P08684	CHEMBL222460	OCCC1=C(c2cc(Cl)ccc2O)c3cc(ccc3NC1=O)C(F)(F)F	100000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	100000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	100000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	61000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	100000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	100000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	88000	nM
P08684	CHEMBL477387	O=S(=O)(c1ccccn1)n2ccc3cc4CCNCCc4cc23	77000	nM
P08684	CHEMBL221401	Fc1ccc(cc1)C2(CN(C3CCN(Cc4cccc(F)c4)CC3)C(=O)N2)c5ccc(F)cc5	100000	nM
P08684	CHEMBL377414	CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C3Cc4ccccc4C3	62000	nM
P08684	CHEMBL377414	CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C3Cc4ccccc4C3	89000	nM
P08684	CHEMBL399973	C[C@@]12C[C@@H](OC(=O)C1=CC[C@]3(C)[C@H]2[C@@H]4OC(=O)[C@@]3(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4)c6cocc6	100000	nM
P08684	CHEMBL255034	C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O	100000	nM
P08684	CHEMBL226385	FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC3CCOCC3	51000	nM
P08684	CHEMBL474934	C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc4ccc(F)cc4)cc2)C[C@H](C)N1	59000	nM
P08684	CHEMBL450829	COc1cc(OC)c(cc1OC)C(=O)C(=O)C	74000	nM
P08684	CHEMBL467114	[Na+].[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc3ccc(Cl)cc3F)n1	100000	nM
P08684	CHEMBL513491	[Na+].[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc3ccc(F)cc3Cl)n1	100000	nM
P08684	CHEMBL564840	Cl.OC[C@H](O)CN1C(=O)N(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C35CC5)CC2)c6ccccc16	100000	nM
P08684	CHEMBL240185	OC=O.Fc1ccc(cc1)C(=O)N2CCN(C(=O)C2)c3ccc(OCCCN4CCCCC4)cc3	100000	nM
P08684	CHEMBL240185	OC=O.Fc1ccc(cc1)C(=O)N2CCN(C(=O)C2)c3ccc(OCCCN4CCCCC4)cc3	100000	nM
P08684	CHEMBL1795039	O\N=C/c1oc(cc1)c2cccnc2.O\N=C\c3oc(cc3)c4cccnc4	51900	nM
P08684	CHEMBL1784172	Cc1c(F)cc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4	63095.73	nM
P08684	CHEMBL1928095	COc1ccc(cc1OC)c2sc(\N=C\c3ccc(cc3)c4ccccc4)c(C#N)c2C	100000	nM
P08684	CHEMBL1933349	COc1ccc2cc(ccc2c1)c3cc(nn3[C@@H](C)c4ccc(cc4)C(=O)NCCC(=O)O)c5cc(Cl)cc(Cl)c5	60000	nM
P08684	CHEMBL1956397	NC(=O)C[S+]([O-])Cc1ccccc1c2ccc(Cl)cc2	139000	nM
P08684	CHEMBL1956397	NC(=O)C[S+]([O-])Cc1ccccc1c2ccc(Cl)cc2	159000	nM
P08684	CHEMBL2107826	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)cc2)N1)c5ccccc5	100000	nM
P08684	CHEMBL333306	COc1cc(OC)c(\C=C\C)cc1OC	92300	nM
P08684	CHEMBL1229211	C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O	100000	nM
P08684	CHEMBL1229211	C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O	54000	nM
P08684	CHEMBL1229211	C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O	65000	nM
P08684	CHEMBL2043144	OC(=O)\C(=C\C(=O)C1=CC(=CN(Cc2ccccc2F)C1=O)Cc3ccc(F)cc3F)\O	200000	nM
P08684	CHEMBL2043144	OC(=O)\C(=C\C(=O)C1=CC(=CN(Cc2ccccc2F)C1=O)Cc3ccc(F)cc3F)\O	200000	nM
P08684	CHEMBL2062151	NC(=O)[C@H]1CN(C(=O)O1)c2ccc(C3CC[S+]([O-])CC3)c(F)c2	900000	nM
P08684	CHEMBL2037511	CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c3ccc(C)nc3C)C(=O)[C@H](NC1=O)C4Cc5ccccc5C4	100000	nM
P08684	CHEMBL2037511	CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c3ccc(C)nc3C)C(=O)[C@H](NC1=O)C4Cc5ccccc5C4	100000	nM
P08684	CHEMBL2332097	COc1cccc(CN(C)C(=O)Nc2ccc(cc2)c3cn[nH]c3)c1	100000	nM
P08684	CHEMBL2332068	COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)c3cn[nH]c3)c1	80000	nM
P08684	CHEMBL2170754	Cc1ccc(cc1O)C(=O)c2nc3ccc(O)cc3s2	54000	nM
P08684	CHEMBL2170747	Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1	54000	nM
P08684	CHEMBL2170750	Oc1ccc2nc(sc2c1)C(=O)c3ccc(F)c(O)c3	54000	nM
P08684	CHEMBL2381076	Cc1ccc(c2ccccc2)c(n1)C(=O)N3CC4(CC4)C[C@H]3CNc5ccc(cn5)C(F)(F)F	64000	nM
P08684	CHEMBL2381074	Cc1ccc(c2ncccn2)c(n1)C(=O)N3CC4(CC4)C[C@H]3CNc5ccc(cn5)C(F)(F)F	100000	nM
P08684	CHEMBL2381100	Cc1nc(C(=O)N2CC3(CC3)C[C@H]2CNc4ccc(cn4)C(F)(F)F)c(s1)c5ccccc5	100000	nM
P08684	CHEMBL2409564	OC(=O)CC1CCC(CC1)c2ccc(cc2)c3nc4cc(NC(=O)c5nc(oc5C(F)(F)F)c6ccccc6)ccc4[nH]3	100000	nM
P08684	CHEMBL2413849	Cc1ccc2[nH]c(cc2c1)C(=O)N3CCC(CC(C)(C)O)CC3	100000	nM
P08684	CHEMBL252518	C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	125000	nM
P08684	CHEMBL252518	C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	125000	nM
P08684	CHEMBL2425889	CC#CCN1C(=O)N(Cc2ccc3cc(Cl)ccc3n2)C(=O)C=C1N4CCC[C@@H](N)C4	91930	nM
P08684	CHEMBL1269597	CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN(C)C)N(C)C1=O)C(C)C	58500	nM
P08684	CHEMBL2425894	CC#CCN1C(=O)N(Cc2ccc3ccc(F)cc3n2)C(=O)C=C1N4CCC[C@@H](N)C4	54650	nM
P08684	CHEMBL2425886	CC#CCN1C(=O)N(Cc2ccc3ccccc3n2)C(=O)C=C1N4CCC[C@@H](N)C4	97900	nM
P08684	CHEMBL2425888	CC#CCN1C(=O)N(Cc2ccc3cc(Br)ccc3n2)C(=O)C=C1N4CCC[C@@H](N)C4	79360	nM
P08684	CHEMBL2425890	CC#CCN1C(=O)N(Cc2ccc3cc(F)ccc3n2)C(=O)C=C1N4CCC[C@@H](N)C4	58280	nM
P08684	CHEMBL2434978	OC(=O)c1ccc(Sc2ccc(CN3CCC(CC3)N4[C@@H](CN(C5CCOCC5)C4=O)c6ccccc6)cn2)cc1	60000	nM
P08684	CHEMBL2435853	Cc1nc(Oc2ccc(cc2)C(=O)O)ccc1CN3CCC(CC3)N4[C@@H](CN(C5CCOCC5)C4=O)c6cccc(Cl)c6	100000	nM
P08684	CHEMBL2435856	CCc1nc(Oc2ccc(cc2)C(=O)O)ccc1CN3CCC(CC3)N4[C@@H](CN(C5CCOCC5)C4=O)c6ccccc6	73000	nM
P08684	CHEMBL2442750	Cc1c(CC(=O)O)c2cccnc2n1Cc3ccc(cc3)S(=O)(=O)C	100000	nM
P08684	CHEMBL3142403	Cl.Cl.CN1CCC[C@H]1CCN2CCCc3cc(NC(=N)c4cccs4)ccc23	100000	nM
P08684	CHEMBL3219283	Br.CN(C)Cc1cc2c(NC(=O)c3cccc(O)c23)s1	200000	nM
P08684	CHEMBL3087669	C[C@H]1CCCN1[C@H]2CCN(C2)c3ccc(NC(=O)c4c(C)onc4C)c(C)c3	100000	nM
P08684	CHEMBL3128188	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c5cccnc5	100000	nM
P08684	CHEMBL3128188	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c5cccnc5	100000	nM
P08684	CHEMBL3128178	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c5cccnc5	100000	nM
P08684	CHEMBL3128178	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c5cccnc5	100000	nM
P08684	CHEMBL3128194	Nc1nc2[C@@H](CCc2s1)C(=O)Nc3ccc(C[C@@H]4CC[C@@H](N4)[C@H](O)c5ccccc5)cc3	86000	nM
P08684	CHEMBL3264002	CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccn4)cc3OC2=O)c1F	100000	nM
P08684	CHEMBL3264002	CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccn4)cc3OC2=O)c1F	100000	nM
P08684	CHEMBL3264597	COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c3c[nH]nn3	57000	nM
P08684	CHEMBL3264597	COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c3c[nH]nn3	57000	nM
P08684	CHEMBL3217198	Cl.Cl.N=C(Nc1ccc2N(CCCc2c1)C3CCNCC3)c4cccs4	100000	nM
P08684	CHEMBL3216551	Cl.Cl.CN1CCC(=CC1)c2c[nH]c3ccc(NC(=N)c4occc4)cc23	100000	nM
P08684	CHEMBL3216770	Cl.Cl.CN(C)CCN1C(=O)CCc2cc(NC(=N)c3cccs3)ccc12	100000	nM
P08684	CHEMBL3264607	CC(C)C(O)(c1ccc2cc(ccc2c1)c3ocnc3)c4c[nH]nn4	102000	nM
P08684	CHEMBL3262163	Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc3cccnc3)cc1	100000	nM
P08684	CHEMBL3263996	CNS(=O)(=O)Nc1cc(CC2=C(C)c3ccc(OC(=O)N(C)C)cc3OC2=O)ccn1	100000	nM
P08684	CHEMBL3263996	CNS(=O)(=O)Nc1cc(CC2=C(C)c3ccc(OC(=O)N(C)C)cc3OC2=O)ccn1	100000	nM
P08684	CHEMBL3264609	CC(C)C(O)(c1ccc2cc(OCC(F)(F)F)ccc2c1)c3c[nH]nn3	195000	nM
P08684	CHEMBL3264598	COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c3nc[nH]n3	100000	nM
P08684	CHEMBL3216112	Cl.Cl.CN1CCC[C@@H]1CCN2CCCc3cc(NC(=N)c4cccs4)ccc23	100000	nM
P08684	CHEMBL3236948	CC(C)N1C=C(c2ccccc2C1=O)c3c(C)n(CC(=O)O)c4ccc(F)cc34	100000	nM
P08684	CHEMBL3259868	CC(C)C(O)(c1ccc2cc(ccc2c1)c3cccs3)c4c[nH]nn4	81000	nM
P08684	CHEMBL3216313	Cl.Cl.CN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12	100000	nM
P08684	CHEMBL3301607	O=C(Nc1nc2cccc(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C5CC5	70000	nM
P08684	CHEMBL3311221	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(OCC(F)(F)F)cn3	72000	nM
P08684	CHEMBL3311226	O[C@@](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(cc4)C(F)(F)F	54000	nM
P08684	CHEMBL3311224	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(cc4)C(F)(F)F	60000	nM
P08684	CHEMBL3311224	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(cc4)C(F)(F)F	60000	nM
P08684	CHEMBL3311228	O[C@@](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(OCC(F)(F)F)cc4	65000	nM
P08684	CHEMBL3311227	O[C@@](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(OC(F)(F)F)cc4	79000	nM
P08684	CHEMBL3311222	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(F)cc4	53000	nM
P08684	CHEMBL3310995	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccccn3	136000	nM
P08684	CHEMBL3287849	O=C1NOC(=C1)[C@H]2CCN[C@@H](Cc3ccccc3)C2	20000000	nM
P08684	CHEMBL3330442	Clc1ccc(s1)C(=O)NC[C@@H]2OC(=O)N3[C@H]2COc4cc(ccc34)N5CCOCC5=O	85120	nM
P08684	CHEMBL3287851	CC(C)(C)C[C@H]1C[C@H](CCN1)C2=CC(=O)NO2	20000000	nM
P08684	CHEMBL3330060	N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc2cc(F)c(F)cc2F	56490	nM
P08684	CHEMBL3287854	O=C1NOC(=C1)[C@H]2CCN[C@@H](CCc3ccccc3)C2	20000000	nM
P08684	CHEMBL3358962	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(Cl)cn3	74000	nM
P08684	CHEMBL3359021	OC(=O)c1cccnc1NC(=O)N2C[C@H]3C[C@H](C[C@H]3C2)c4ccccc4C(F)(F)F	100000	nM
P08684	CHEMBL3350936	N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(O)(CC(O)(C5)C3)C4	200000	nM
P08684	CHEMBL3350936	N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(O)(CC(O)(C5)C3)C4	200000	nM
P08684	CHEMBL3350936	N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(O)(CC(O)(C5)C3)C4	200000	nM
P08684	CHEMBL3350936	N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(O)(CC(O)(C5)C3)C4	200000	nM
P08684	CHEMBL3298909	CCc1nc2cc(Cl)ccn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5	100000	nM
P08684	CHEMBL3298910	CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5	100000	nM
P08684	CHEMBL600058	COCCCNc1nc2cc(C)c(C)cc2n1CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C	97000	nM
P08684	CHEMBL498373	COc1cc(\C=C\2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)\C2=O)cc(OC)c1O	38282474.33	nM
P08684	CHEMBL103320	Cc1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL470049	C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1OC(=O)C	90000	nM
P08684	CHEMBL1241912	CNC(=O)c1ncn2c1COc3c(CCN4CCN(CC4)c5cccc6nc(C)ccc56)cccc23	82000	nM
P08684	CHEMBL1241912	CNC(=O)c1ncn2c1COc3c(CCN4CCN(CC4)c5cccc6nc(C)ccc56)cccc23	100000	nM
P08684	CHEMBL602483	O[C@@H](CN1[C@H](COc2c1cccc2c3cccc(OC(F)(F)F)c3)c4cccc(OC(F)(F)C(F)F)c4)C(F)(F)F	100000	nM
P08684	CHEMBL602483	O[C@@H](CN1[C@H](COc2c1cccc2c3cccc(OC(F)(F)F)c3)c4cccc(OC(F)(F)C(F)F)c4)C(F)(F)F	100000	nM
P08684	CHEMBL390526	Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1	100000	nM
P08684	CHEMBL493001	COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O	76032627.69	nM
P08684	CHEMBL317798	CCCOc1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL179399	C[n+]1c[nH]cc1c2cccnc2	262000	nM
P08684	CHEMBL1232887	Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4	100000	nM
P08684	CHEMBL266158	c1ccncc1	4000000	nM
P08684	CHEMBL197202	CC(C(=O)O)c1ccc(c(F)c1)c2ccc(cc2)c3ccc(O)cc3	74000	nM
P08684	CHEMBL254592	C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O	100000	nM
P08684	CHEMBL501119	CC1=C[C@@H](O)[C@@]23O[C@]2(C)C[C@@H]4OC(=O)C(=C4C[C@@H]13)C	98200	nM
P08684	CHEMBL221542	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C	100000	nM
P08684	CHEMBL217716	ONC(=O)c1ccc(s1)c2ccn(CCNCc3ccc4OCOc4c3)n2	53000	nM
P08684	CHEMBL146826	CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	100000	nM
P08684	CHEMBL146826	CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	55000	nM
P08684	CHEMBL286272	CCNC(=O)c1c2CCCCn2c3c(ncnc13)N4CCN(CCc5ccc(F)c(F)c5)CC4	100000	nM
P08684	CHEMBL489480	C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc4cccc(c4)C#N)cc2)CCN1	58000	nM
P08684	CHEMBL590750	COc1c(cc(cc1C(C)(C)C)C(=O)Cn2c(NCCCO)nc3cc(C)c(C)cc23)C(C)(C)C	67000	nM
P08684	CHEMBL489095	C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc4cccc(F)c4)cc2)CCN1	69000	nM
P08684	CHEMBL523933	C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc4cccc(F)c4)cc2)CCN1	69000	nM
P08684	CHEMBL407034	Cc1cc(\C=C\C(=O)\C=C\c2cc(C)c(O)c(C)c2)cc(C)c1O	40271703.43	nM
P08684	CHEMBL179589	Cc1ccc(nc1)c2cccnc2	84230	nM
P08684	CHEMBL372751	CC1(C)CCC(CC1)c2ccc(cc2)c3ccc(cc3F)C4(CC4)C(=O)O	84000	nM
P08684	CHEMBL103163	CC(C)(C)c1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL442398	COc1ccc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc4csc(C)n4)C(C)C)[C@@H](C2)C(=O)NC(C)(C)C)cc1OC	120000	nM
P08684	CHEMBL101180	CC(C)c1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL372846	OC(=O)C1(CC1)c2ccc(c(F)c2)c3ccc(c(F)c3)c4ccc(O)cc4	58000	nM
P08684	CHEMBL297784	Cn1ccc2cc3N(CCc3cc12)C(=O)Nc4cccnc4	100000	nM
P08684	CHEMBL178681	NCc1ccc(s1)c2cccnc2.N=Cc3ccc(s3)c4cccnc4.N=Cc5ccc(s5)c6cccnc6	77500	nM
P08684	CHEMBL425519	Cc1cscc1c2ccc(F)nc2	114000	nM
P08684	CHEMBL361364	CCn1cnc(c1)c2cccnc2	79200	nM
P08684	CHEMBL223079	Fc1ccc(cc1)C2(CN(C3CCN(Cc4cccc(Cl)c4)CC3)C(=O)N2)c5ccc(F)cc5	100000	nM
P08684	CHEMBL225411	FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC3CCOCC3	100000	nM
P08684	CHEMBL270361	COc1cc(\C=C\2/CC\C(=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O	64863443.35	nM
P08684	CHEMBL270361	COc1cc(\C=C\2/CC\C(=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O	64900	nM
P08684	CHEMBL178516	c1cncc(c1)c2c[nH]cn2	139900	nM
P08684	CHEMBL178516	c1cncc(c1)c2c[nH]cn2	139900	nM
P08684	CHEMBL244403	CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c4ccccc14	200000	nM
P08684	CHEMBL360541	NCC#Cc1cccnc1	365000	nM
P08684	CHEMBL360541	NCC#Cc1cccnc1	128000	nM
P08684	CHEMBL470048	C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](OC(=O)C)[C@H]1O	98300	nM
P08684	CHEMBL503727	C\C\1=C/[C@H](O)C[C@@]2(C)O[C@@H]2CC(C)(C)\C=C\C1=O	62500	nM
P08684	CHEMBL267865	CCCCc1ccc(\N=C\NO)c(C)c1	71000	nM
P08684	CHEMBL178878	c1cnc(nc1)c2cccnc2	400000	nM
P08684	CHEMBL400494	C[C@@]12C[C@H](OC(=O)[C@@]1(O)C[C@H]3OC(=O)[C@@]4(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=CC[C@@H]2[C@@]34C)c6cocc6	100000	nM
P08684	CHEMBL448743	O=C1CCc2cc(ccc12)c3cccnc3	200000	nM
P08684	CHEMBL376722	CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2C)CC1	100000	nM
P08684	CHEMBL227899	FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC3CCC3	75000	nM
P08684	CHEMBL179704	Cc1cscc1c2cccnc2	80900	nM
P08684	CHEMBL374350	Cc1cc2nc(NCCCO)n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2cc1C	85000	nM
P08684	CHEMBL453384	CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1F	100000	nM
P08684	CHEMBL445120	ON\C=N\c1ccc(Cc2ccccc2)cc1	100000	nM
P08684	CHEMBL360999	Cn1cnc(c1)c2cccnc2	261900	nM
P08684	CHEMBL360999	Cn1cnc(c1)c2cccnc2	262000	nM
P08684	CHEMBL325429	CN(C)CCOc1ccc(cc1)n2ccnc2	100000	nM
P08684	CHEMBL1235	CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	100000	nM
P08684	CHEMBL1235	CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	100000	nM
P08684	CHEMBL100917	CCCCc1ccccc1\N=C\NO	51000	nM
P08684	CHEMBL498371	CC(C)c1cc(\C=C\2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)\C2=O)cc(C(C)C)c1O	77600	nM
P08684	CHEMBL498371	CC(C)c1cc(\C=C\2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)\C2=O)cc(C(C)C)c1O	77624711.66	nM
P08684	CHEMBL147806	CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	100000	nM
P08684	CHEMBL518591	CN1CCc2cc3ccn(c3cc2CC1)S(=O)(=O)c4cccc(Cl)c4	71000	nM
P08684	CHEMBL478902	Cc1ccn(n1)c2ccc(C(=O)N3CCC(F)(F)\C(=C/C(=O)O)\c4ccccc34)c(Cl)c2	100000	nM
P08684	CHEMBL222424	Fc1ccc(cc1)C2(CN(C3CCN(Cc4ccccc4)CC3)C(=O)N2)c5ccc(F)cc5	91900	nM
P08684	CHEMBL1208892	C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3cc(ccc23)c4ccnc(N)n4)c5ccccc5C(F)(F)F	100000	nM
P08684	CHEMBL226386	FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC3CCCC3	65000	nM
P08684	CHEMBL179005	Fc1ccc(cn1)c2ccsc2	114000	nM
P08684	CHEMBL179005	Fc1ccc(cn1)c2ccsc2	114000	nM
P08684	CHEMBL1271520	O=C(N[C@@H]1CN2CCC1CC2)c3cccc4oc(nc34)N5CCOCC5	100000	nM
P08684	CHEMBL25948	CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1	77700	nM
P08684	CHEMBL103313	CCCCc1ccc(N\C=N\O)cc1	65000	nM
P08684	CHEMBL156339	COc1cc(OC)c(cc1OC)[C@@H]2[C@H](C)[C@@H](C)[C@H]2c3cc(OC)c(OC)cc3OC	85400	nM
P08684	CHEMBL1684585	Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c4ccccc4)cc2)cs1	100000	nM
P08684	CHEMBL1684585	Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c4ccccc4)cc2)cs1	100000	nM
P08684	CHEMBL45816	COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc4cc(F)ccc4[C@@H]1C(C)C	140000	nM
P08684	CHEMBL368883	Cc1nccn1c2cccnc2	152000	nM
P08684	CHEMBL368883	Cc1nccn1c2cccnc2	152000	nM
P08684	CHEMBL364738	CC(C)(C(=O)O)c1ccc(c(F)c1)c2ccc(cc2)C3CCCCC3	59000	nM
P08684	CHEMBL62811	O=C1CCc2cc(ccc2N1)c3cccnc3	127000	nM
P08684	CHEMBL213221	Cc1cc(nn1Cc2cc(Br)ccc2OCc3ccccc3)C(=O)O	100000	nM
P08684	CHEMBL178330	O\N=C/c1oc(cc1)c2cccnc2	400000	nM
P08684	CHEMBL179618	c1cncc(c1)c2cccs2	57000	nM
P08684	CHEMBL114555	CCOC(=O)N1CCN(CCOc2ccc(cc2)n3ccnc3)CC1	100000	nM
P08684	CHEMBL276140	CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F	100000	nM
P08684	CHEMBL276140	CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F	100000	nM
P08684	CHEMBL239099	OC=O.O=C(N1CCN(C(=O)C1)c2ccc(OC3CCN(CC3)C4CCC4)cc2)c5ccc(cc5)C#N	100000	nM
P08684	CHEMBL239099	OC=O.O=C(N1CCN(C(=O)C1)c2ccc(OC3CCN(CC3)C4CCC4)cc2)c5ccc(cc5)C#N	100000	nM
P08684	CHEMBL239299	C[C@@H]1CCCN1CCCOc2ccc(cc2)N3CCN(CC3=O)C(=O)c4ccc(F)cc4F.OC=O	100000	nM
P08684	CHEMBL239299	C[C@@H]1CCCN1CCCOc2ccc(cc2)N3CCN(CC3=O)C(=O)c4ccc(F)cc4F.OC=O	100000	nM
P08684	CHEMBL239299	C[C@@H]1CCCN1CCCOc2ccc(cc2)N3CCN(CC3=O)C(=O)c4ccc(F)cc4F.OC=O	100000	nM
P08684	CHEMBL249243	C[C@@]12C[C@H](OC(=O)[C@@]1(O)C[C@H]3OC(=O)[C@]4(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=CC[C@@H]2[C@@]34C)c6cocc6	100000	nM
P08684	CHEMBL1630	Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	100000	nM
P08684	CHEMBL1630	Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	100000	nM
P08684	CHEMBL392465	CC(=O)N1CCC(CC1)C(=O)N2C[C@@H]([C@H](C2)c3ccc(F)cc3C)c4noc(n4)C(C)(C)c5cc(cc(c5)C(F)(F)F)C(F)(F)F	100000	nM
P08684	CHEMBL534958	Cl.O=C(N1CCN(C(=O)C1)c2ccc(OCCCN3CCCCC3)cc2)c4ccc(cc4)C#N	100000	nM
P08684	CHEMBL551991	Cc1oc2ccc(cc2c1)\N=C(\NC#N)/N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O	200000	nM
P08684	CHEMBL484029	CC(C)CC(=O)c1c(O)cc(O)cc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O	120000	nM
P08684	CHEMBL225413	Fc1c(Cl)cccc1Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F	100000	nM
P08684	CHEMBL225464	Fc1ccc(Cl)cc1Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F	68000	nM
P08684	CHEMBL469851	C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1O	55800	nM
P08684	CHEMBL469431	C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](OC(=O)C)[C@H](O)[C@H]1O	59000	nM
P08684	CHEMBL179477	c1cncc(c1)n2ccnc2	109000	nM
P08684	CHEMBL179477	c1cncc(c1)n2ccnc2	77540	nM
P08684	CHEMBL178780	C(c1ccccc1)n2cnc(c2)c3cccnc3	75100	nM
P08684	CHEMBL178711	C(NCc1ccc(s1)c2cccnc2)c3ccc(s3)c4cccnc4	400000	nM
P08684	CHEMBL14563	Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl	100000	nM
P08684	CHEMBL14563	Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl	100000	nM
P08684	CHEMBL101296	CCc1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL14460	Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F	100000	nM
P08684	CHEMBL359657	NCc1ccc(s1)c2cccnc2	58720	nM
P08684	CHEMBL359657	NCc1ccc(s1)c2cccnc2	56990	nM
P08684	CHEMBL359657	NCc1ccc(s1)c2cccnc2	58700	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	62000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	220000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	146000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	80000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	110000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	220000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	110000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	190000	nM
P08684	CHEMBL23	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	100000	nM
P08684	CHEMBL295698	CC(=O)N1CCN(CC1)c2ccc(OC[C@@H]3CO[C@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2	57000	nM
P08684	CHEMBL226067	FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC3CCCCC3	82000	nM
P08684	CHEMBL240528	C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O	100000	nM
P08684	CHEMBL476572	CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c4ccnc(Nc5cccc(c5)S(=O)(=O)N)n4	74000	nM
P08684	CHEMBL476572	CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c4ccnc(Nc5cccc(c5)S(=O)(=O)N)n4	79000	nM
P08684	CHEMBL398472	C[C@@]12C[C@@H](OC(=O)[C@@H]1[C@@H](O)C[C@]3(C)[C@H]2[C@@H]4OC(=O)[C@@]3(O)[C@H]5O[C@@H]45)c6cocc6	100000	nM
P08684	CHEMBL399731	C[C@@]12C[C@@H](OC(=O)C1=CC[C@]3(C)[C@H]2[C@@H]4OC(=O)[C@@]3(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]6O[C@@H]46)c7cocc7	100000	nM
P08684	CHEMBL221959	C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N	52000	nM
P08684	CHEMBL1631540	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc(c4)N5CCNC5=O)CC3	67000	nM
P08684	CHEMBL1256004	NCCc1cccnc1	5000000	nM
P08684	CHEMBL452101	Oc1ccc(\C=C\2/CC\C(=C/c3ccc(O)cc3)\C2=O)cc1	5105050	nM
P08684	CHEMBL1230001	OC(=O)c1ccccc1NC(=O)N2CCC(CC2)c3ccccc3C(F)(F)F	100000	nM
P08684	CHEMBL100899	CCC(C)c1ccc(N\C=N\O)cc1	100000	nM
P08684	CHEMBL194838	OC(=O)C1(CC1)c2ccc(c(F)c2)c3ccc(cc3)C4CCCCC4	59000	nM
P08684	CHEMBL178781	Cc1cn(cn1)c2cccnc2	109000	nM
P08684	CHEMBL320105	CCCCCCOc1ccc(cn1)n2ccnc2	76900	nM
P08684	CHEMBL103651	Cc1ccccc1\N=C\NO	100000	nM
P08684	CHEMBL564085	CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)C)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C	61000	nM
P08684	CHEMBL317935	C[C@H](NC(=O)\C=C\c1ccccc1)c2cccc(c2)N3CCOCC3	96000	nM
P08684	CHEMBL317935	C[C@H](NC(=O)\C=C\c1ccccc1)c2cccc(c2)N3CCOCC3	62000	nM
P08684	CHEMBL317935	C[C@H](NC(=O)\C=C\c1ccccc1)c2cccc(c2)N3CCOCC3	76000	nM
P08684	CHEMBL502	COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC	54680	nM
P08684	CHEMBL319862	CCCCc1ccc(C)c(N\C=N\O)c1	94000	nM
P08684	CHEMBL446083	CN1C(=O)CCc2cc(ccc12)c3cccnc3	200000	nM
P08684	CHEMBL1272072	O=C(N[C@@H]1CN2CCC1CC2)c3cccc4oc(nc34)C5CC5	100000	nM
P08684	CHEMBL251672	C[C@@]12C[C@@H](OC(=O)[C@@H]1CC[C@]3(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2CC=CC3=O)c5cocc5	100000	nM
P08684	CHEMBL497137	CCc1cc(\C=C\2/CC\C(=C/c3cc(CC)c(O)c(CC)c3)\C2=O)cc(CC)c1O	73451386.82	nM
P08684	CHEMBL497137	CCc1cc(\C=C\2/CC\C(=C/c3cc(CC)c(O)c(CC)c3)\C2=O)cc(CC)c1O	73500	nM
P08684	CHEMBL225465	Fc1cc(Cl)ccc1Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F	100000	nM
P08684	CHEMBL440464	CN1CCCC1c2cccnc2	142400	nM
P08684	CHEMBL218583	OC(=O)c1c(O)c(nc2c(cccc12)c3ccccc3)c4ccc(Cl)cc4	55000	nM
P08684	CHEMBL373751	COc1cc2ncn(c3cc(OCc4ccccc4S(=O)(=O)C)c(C#N)s3)c2cc1OC	50118.72	nM
P08684	CHEMBL348475	COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c5cnc6ccccc6c5)cc3)Cc2cc1OC	100000	nM
P08684	CHEMBL348475	COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c5cnc6ccccc6c5)cc3)Cc2cc1OC	100000	nM
P08684	CHEMBL147587	CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	100000	nM
P08684	CHEMBL147587	CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	100000	nM
P08684	CHEMBL178547	O\N=C\c1oc(cc1)c2cccnc2	400000	nM
P08684	CHEMBL179763	c1cncc(c1)c2cccnc2	64700	nM
P08684	CHEMBL361153	c1cncc(c1)c2ccsc2	55910	nM
P08684	CHEMBL361153	c1cncc(c1)c2ccsc2	56900	nM
P08684	CHEMBL222460	OCCC1=C(c2cc(Cl)ccc2O)c3cc(ccc3NC1=O)C(F)(F)F	100000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	100000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	100000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	61000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	100000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	100000	nM
P08684	CHEMBL1241913	Cc1ccc2c(cccc2n1)N3CCN(CCc4cccc5c4OCc6c(ncn56)C(=O)N)CC3	88000	nM
P08684	CHEMBL477387	O=S(=O)(c1ccccn1)n2ccc3cc4CCNCCc4cc23	77000	nM
P08684	CHEMBL221401	Fc1ccc(cc1)C2(CN(C3CCN(Cc4cccc(F)c4)CC3)C(=O)N2)c5ccc(F)cc5	100000	nM
P08684	CHEMBL377414	CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C3Cc4ccccc4C3	62000	nM
P08684	CHEMBL377414	CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C3Cc4ccccc4C3	89000	nM
P08684	CHEMBL399973	C[C@@]12C[C@@H](OC(=O)C1=CC[C@]3(C)[C@H]2[C@@H]4OC(=O)[C@@]3(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4)c6cocc6	100000	nM
P08684	CHEMBL255034	C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O	100000	nM
P08684	CHEMBL226385	FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC3CCOCC3	51000	nM
P08684	CHEMBL474934	C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc4ccc(F)cc4)cc2)C[C@H](C)N1	59000	nM
P08684	CHEMBL450829	COc1cc(OC)c(cc1OC)C(=O)C(=O)C	74000	nM
P08684	CHEMBL467114	[Na+].[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc3ccc(Cl)cc3F)n1	100000	nM
P08684	CHEMBL513491	[Na+].[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc3ccc(F)cc3Cl)n1	100000	nM
P08684	CHEMBL564840	Cl.OC[C@H](O)CN1C(=O)N(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C35CC5)CC2)c6ccccc16	100000	nM
P08684	CHEMBL240185	OC=O.Fc1ccc(cc1)C(=O)N2CCN(C(=O)C2)c3ccc(OCCCN4CCCCC4)cc3	100000	nM
P08684	CHEMBL240185	OC=O.Fc1ccc(cc1)C(=O)N2CCN(C(=O)C2)c3ccc(OCCCN4CCCCC4)cc3	100000	nM
P08684	CHEMBL1795039	O\N=C/c1oc(cc1)c2cccnc2.O\N=C\c3oc(cc3)c4cccnc4	51900	nM
P08684	CHEMBL1784172	Cc1c(F)cc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4	63095.73	nM
P08684	CHEMBL1928095	COc1ccc(cc1OC)c2sc(\N=C\c3ccc(cc3)c4ccccc4)c(C#N)c2C	100000	nM
P08684	CHEMBL1933349	COc1ccc2cc(ccc2c1)c3cc(nn3[C@@H](C)c4ccc(cc4)C(=O)NCCC(=O)O)c5cc(Cl)cc(Cl)c5	60000	nM
P08684	CHEMBL1956397	NC(=O)C[S+]([O-])Cc1ccccc1c2ccc(Cl)cc2	139000	nM
P08684	CHEMBL1956397	NC(=O)C[S+]([O-])Cc1ccccc1c2ccc(Cl)cc2	159000	nM
P08684	CHEMBL2107826	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)cc2)N1)c5ccccc5	100000	nM
P08684	CHEMBL333306	COc1cc(OC)c(\C=C\C)cc1OC	92300	nM
P08684	CHEMBL1229211	C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O	100000	nM
P08684	CHEMBL1229211	C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O	54000	nM
P08684	CHEMBL1229211	C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O	65000	nM
P08684	CHEMBL2043144	OC(=O)\C(=C\C(=O)C1=CC(=CN(Cc2ccccc2F)C1=O)Cc3ccc(F)cc3F)\O	200000	nM
P08684	CHEMBL2043144	OC(=O)\C(=C\C(=O)C1=CC(=CN(Cc2ccccc2F)C1=O)Cc3ccc(F)cc3F)\O	200000	nM
P08684	CHEMBL2062151	NC(=O)[C@H]1CN(C(=O)O1)c2ccc(C3CC[S+]([O-])CC3)c(F)c2	900000	nM
P08684	CHEMBL2037511	CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c3ccc(C)nc3C)C(=O)[C@H](NC1=O)C4Cc5ccccc5C4	100000	nM
P08684	CHEMBL2037511	CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c3ccc(C)nc3C)C(=O)[C@H](NC1=O)C4Cc5ccccc5C4	100000	nM
P08684	CHEMBL2332097	COc1cccc(CN(C)C(=O)Nc2ccc(cc2)c3cn[nH]c3)c1	100000	nM
P08684	CHEMBL2332068	COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)c3cn[nH]c3)c1	80000	nM
P08684	CHEMBL2170754	Cc1ccc(cc1O)C(=O)c2nc3ccc(O)cc3s2	54000	nM
P08684	CHEMBL2170747	Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1	54000	nM
P08684	CHEMBL2170750	Oc1ccc2nc(sc2c1)C(=O)c3ccc(F)c(O)c3	54000	nM
P08684	CHEMBL2381076	Cc1ccc(c2ccccc2)c(n1)C(=O)N3CC4(CC4)C[C@H]3CNc5ccc(cn5)C(F)(F)F	64000	nM
P08684	CHEMBL2381074	Cc1ccc(c2ncccn2)c(n1)C(=O)N3CC4(CC4)C[C@H]3CNc5ccc(cn5)C(F)(F)F	100000	nM
P08684	CHEMBL2381100	Cc1nc(C(=O)N2CC3(CC3)C[C@H]2CNc4ccc(cn4)C(F)(F)F)c(s1)c5ccccc5	100000	nM
P08684	CHEMBL2409564	OC(=O)CC1CCC(CC1)c2ccc(cc2)c3nc4cc(NC(=O)c5nc(oc5C(F)(F)F)c6ccccc6)ccc4[nH]3	100000	nM
P08684	CHEMBL2413849	Cc1ccc2[nH]c(cc2c1)C(=O)N3CCC(CC(C)(C)O)CC3	100000	nM
P08684	CHEMBL252518	C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	125000	nM
P08684	CHEMBL252518	C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	125000	nM
P08684	CHEMBL2425889	CC#CCN1C(=O)N(Cc2ccc3cc(Cl)ccc3n2)C(=O)C=C1N4CCC[C@@H](N)C4	91930	nM
P08684	CHEMBL1269597	CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN(C)C)N(C)C1=O)C(C)C	58500	nM
P08684	CHEMBL2425894	CC#CCN1C(=O)N(Cc2ccc3ccc(F)cc3n2)C(=O)C=C1N4CCC[C@@H](N)C4	54650	nM
P08684	CHEMBL2425886	CC#CCN1C(=O)N(Cc2ccc3ccccc3n2)C(=O)C=C1N4CCC[C@@H](N)C4	97900	nM
P08684	CHEMBL2425888	CC#CCN1C(=O)N(Cc2ccc3cc(Br)ccc3n2)C(=O)C=C1N4CCC[C@@H](N)C4	79360	nM
P08684	CHEMBL2425890	CC#CCN1C(=O)N(Cc2ccc3cc(F)ccc3n2)C(=O)C=C1N4CCC[C@@H](N)C4	58280	nM
P08684	CHEMBL2434978	OC(=O)c1ccc(Sc2ccc(CN3CCC(CC3)N4[C@@H](CN(C5CCOCC5)C4=O)c6ccccc6)cn2)cc1	60000	nM
P08684	CHEMBL2435853	Cc1nc(Oc2ccc(cc2)C(=O)O)ccc1CN3CCC(CC3)N4[C@@H](CN(C5CCOCC5)C4=O)c6cccc(Cl)c6	100000	nM
P08684	CHEMBL2435856	CCc1nc(Oc2ccc(cc2)C(=O)O)ccc1CN3CCC(CC3)N4[C@@H](CN(C5CCOCC5)C4=O)c6ccccc6	73000	nM
P08684	CHEMBL2442750	Cc1c(CC(=O)O)c2cccnc2n1Cc3ccc(cc3)S(=O)(=O)C	100000	nM
P08684	CHEMBL3142403	Cl.Cl.CN1CCC[C@H]1CCN2CCCc3cc(NC(=N)c4cccs4)ccc23	100000	nM
P08684	CHEMBL3219283	Br.CN(C)Cc1cc2c(NC(=O)c3cccc(O)c23)s1	200000	nM
P08684	CHEMBL3087669	C[C@H]1CCCN1[C@H]2CCN(C2)c3ccc(NC(=O)c4c(C)onc4C)c(C)c3	100000	nM
P08684	CHEMBL3128188	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c5cccnc5	100000	nM
P08684	CHEMBL3128188	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c5cccnc5	100000	nM
P08684	CHEMBL3128178	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c5cccnc5	100000	nM
P08684	CHEMBL3128178	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c5cccnc5	100000	nM
P08684	CHEMBL3128194	Nc1nc2[C@@H](CCc2s1)C(=O)Nc3ccc(C[C@@H]4CC[C@@H](N4)[C@H](O)c5ccccc5)cc3	86000	nM
P08684	CHEMBL3264002	CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccn4)cc3OC2=O)c1F	100000	nM
P08684	CHEMBL3264002	CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccn4)cc3OC2=O)c1F	100000	nM
P08684	CHEMBL3264597	COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c3c[nH]nn3	57000	nM
P08684	CHEMBL3264597	COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c3c[nH]nn3	57000	nM
P08684	CHEMBL3217198	Cl.Cl.N=C(Nc1ccc2N(CCCc2c1)C3CCNCC3)c4cccs4	100000	nM
P08684	CHEMBL3216551	Cl.Cl.CN1CCC(=CC1)c2c[nH]c3ccc(NC(=N)c4occc4)cc23	100000	nM
P08684	CHEMBL3216770	Cl.Cl.CN(C)CCN1C(=O)CCc2cc(NC(=N)c3cccs3)ccc12	100000	nM
P08684	CHEMBL3264607	CC(C)C(O)(c1ccc2cc(ccc2c1)c3ocnc3)c4c[nH]nn4	102000	nM
P08684	CHEMBL3262163	Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc3cccnc3)cc1	100000	nM
P08684	CHEMBL3263996	CNS(=O)(=O)Nc1cc(CC2=C(C)c3ccc(OC(=O)N(C)C)cc3OC2=O)ccn1	100000	nM
P08684	CHEMBL3263996	CNS(=O)(=O)Nc1cc(CC2=C(C)c3ccc(OC(=O)N(C)C)cc3OC2=O)ccn1	100000	nM
P08684	CHEMBL3264609	CC(C)C(O)(c1ccc2cc(OCC(F)(F)F)ccc2c1)c3c[nH]nn3	195000	nM
P08684	CHEMBL3264598	COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c3nc[nH]n3	100000	nM
P08684	CHEMBL3216112	Cl.Cl.CN1CCC[C@@H]1CCN2CCCc3cc(NC(=N)c4cccs4)ccc23	100000	nM
P08684	CHEMBL3236948	CC(C)N1C=C(c2ccccc2C1=O)c3c(C)n(CC(=O)O)c4ccc(F)cc34	100000	nM
P08684	CHEMBL3259868	CC(C)C(O)(c1ccc2cc(ccc2c1)c3cccs3)c4c[nH]nn4	81000	nM
P08684	CHEMBL3216313	Cl.Cl.CN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12	100000	nM
P08684	CHEMBL3301607	O=C(Nc1nc2cccc(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C5CC5	70000	nM
P08684	CHEMBL3311221	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(OCC(F)(F)F)cn3	72000	nM
P08684	CHEMBL3311226	O[C@@](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(cc4)C(F)(F)F	54000	nM
P08684	CHEMBL3311224	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(cc4)C(F)(F)F	60000	nM
P08684	CHEMBL3311224	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(cc4)C(F)(F)F	60000	nM
P08684	CHEMBL3311228	O[C@@](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(OCC(F)(F)F)cc4	65000	nM
P08684	CHEMBL3311227	O[C@@](Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(OC(F)(F)F)cc4	79000	nM
P08684	CHEMBL3311222	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(cn3)c4ccc(F)cc4	53000	nM
P08684	CHEMBL3310995	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccccn3	136000	nM
P08684	CHEMBL3287849	O=C1NOC(=C1)[C@H]2CCN[C@@H](Cc3ccccc3)C2	20000000	nM
P08684	CHEMBL3330442	Clc1ccc(s1)C(=O)NC[C@@H]2OC(=O)N3[C@H]2COc4cc(ccc34)N5CCOCC5=O	85120	nM
P08684	CHEMBL3287851	CC(C)(C)C[C@H]1C[C@H](CCN1)C2=CC(=O)NO2	20000000	nM
P08684	CHEMBL3330060	N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc2cc(F)c(F)cc2F	56490	nM
P08684	CHEMBL3287854	O=C1NOC(=C1)[C@H]2CCN[C@@H](CCc3ccccc3)C2	20000000	nM
P08684	CHEMBL3358962	OC(Cn1cnnn1)(c2ccc(F)cc2F)C(F)(F)c3ccc(Cl)cn3	74000	nM
P08684	CHEMBL3359021	OC(=O)c1cccnc1NC(=O)N2C[C@H]3C[C@H](C[C@H]3C2)c4ccccc4C(F)(F)F	100000	nM
P08684	CHEMBL3350936	N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(O)(CC(O)(C5)C3)C4	200000	nM
P08684	CHEMBL3350936	N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(O)(CC(O)(C5)C3)C4	200000	nM
P08684	CHEMBL3350936	N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(O)(CC(O)(C5)C3)C4	200000	nM
P08684	CHEMBL3350936	N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(O)(CC(O)(C5)C3)C4	200000	nM
P08684	CHEMBL3298909	CCc1nc2cc(Cl)ccn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5	100000	nM
P08684	CHEMBL3298910	CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5	100000	nM
P08684	CHEMBL3422000	Cc1cccc(n1)c2nnc3CN(CCn23)C(=O)c4ccc(F)cc4	100000	nM
P08684	CHEMBL3407814	Cl.C(CNCCc1ccnc(n1)n2ccnc2)Cc3cccnc3	70000	nM
P08684	CHEMBL3358963	C[C@@H](c1ncncc1F)[C@](O)(Cn2cnnc2)c3ccc(F)cc3F	51000	nM
P08684	CHEMBL3359017	OC(=O)c1cc(F)ccc1NC(=O)N2C[C@H]3C[C@H](C[C@H]3C2)c4ccccc4C(F)(F)F	53000	nM
P08684	CHEMBL3401131	CN1C(=O)C=C(N=C1N2CCO[C@@H]3CCCC[C@@H]23)c4ccncc4F	418000	nM
P08684	CHEMBL3401127	C[C@H]1OCCN([C@@H]1C)C2=NC(=CC(=O)N2C)c3ccncc3F	485000	nM
P08684	CHEMBL3398252	O\C(=C/C(=O)C1=CC(=CN(Cc2ccccc2F)C1=O)Cc3cc(F)cc(F)c3)\C(=O)N4CCN(CC4)c5ccc(cc5)n6cccc6	85000	nM
P08684	CHEMBL3401132	CN1C(=O)C=C(N=C1N2CCO[C@@H]3COC[C@@H]23)c4ccncc4F	545000	nM
P08684	CHEMBL3403817	CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@H](CC[C@@]56C[C@@]46CC[C@]23C)O[C@H]7CN(CCO7)C8CN(C8)C9CCC9)C(C)(C)O	54000	nM
P08684	CHEMBL3403817	CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@H](CC[C@@]56C[C@@]46CC[C@]23C)O[C@H]7CN(CCO7)C8CN(C8)C9CCC9)C(C)(C)O	100000	nM
P08684	CHEMBL3401129	CN1C(=O)C=C(N=C1N2CCO[C@@H]3CCC[C@@H]23)c4ccncc4F	445000	nM
P08684	CHEMBL3421983	Fc1ccc(cc1)C(=O)N2CCn3c(C2)nnc3c4ccccn4	100000	nM
P08684	CHEMBL3422004	Fc1ccc(cc1)C(=O)N2CCn3c(C2)nnc3c4cccc(n4)C(F)(F)F	100000	nM
P08684	CHEMBL3422006	C[C@H]1N(CCn2c1nnc2c3csc(n3)c4ccccc4)C(=O)c5ccc(F)cc5	67000	nM
P08684	CHEMBL3422017	C[C@H]1N(CCn2c1nnc2c3onc(C)n3)C(=O)c4ccc(cc4)c5cccs5	55000	nM
P08684	CHEMBL3422005	C[C@H]1N(CCn2c1nnc2c3csc(C)n3)C(=O)c4ccc(F)cc4	63000	nM
P08684	CHEMBL3422013	C[C@H]1N(CCn2c1nnc2c3csc(n3)C(F)(F)F)C(=O)c4ccc(cc4)c5cccs5	100000	nM
P08684	CHEMBL3422018	C[C@H]1N(CCn2c1nnc2c3nc(C)ns3)C(=O)c4ccc(cc4)c5cccs5	79000	nM
P08684	CHEMBL3422018	C[C@H]1N(CCn2c1nnc2c3nc(C)ns3)C(=O)c4ccc(cc4)c5cccs5	80000	nM
P08684	CHEMBL3604174	Clc1ccc(NC(=O)c2cn[nH]n2)c(Cl)c1	58100	nM
P08684	CHEMBL3608741	Cc1nsc(n1)c2nnc3[C@@H](CCO)N(CCn23)C(=O)c4ccc(F)cc4	100000	nM
P08684	CHEMBL3608683	CC(C)c1noc(n1)c2nnc3[C@@H](C)N(CCn23)C(=O)c4ccc(F)cc4	100000	nM
P08684	CHEMBL3608684	Cc1nsc(n1)c2nnc3CN(CCn23)C(=O)c4ccc(F)cc4	100000	nM
P08684	CHEMBL3608686	Cc1nsc(n1)c2nnc3n2CCN(C(=O)c4ccc(F)cc4)C3(C)C	100000	nM
P08684	CHEMBL3608688	C[C@H]1N(CCn2c1nnc2c3nc(ns3)C(F)(F)F)C(=O)c4ccc(F)cc4	100000	nM
P08684	CHEMBL3608680	C[C@H]1N(CCn2c1nnc2c3nc(C)ns3)C(=O)c4ccc(F)cc4	90000	nM
P08684	CHEMBL3608682	C[C@H]1N(CCn2c1nnc2c3onc(C)n3)C(=O)c4ccc(F)cc4	100000	nM
P08684	CHEMBL3608687	C[C@H]1N(CCn2c1nnc2c3nc(C)ns3)C(=O)c4ccc(Cl)cc4	100000	nM
P08684	CHEMBL3640785	O=NCc1oc(cc1)c2cccnc2	400000	nM
P08684	CHEMBL3640785	O=NCc1oc(cc1)c2cccnc2	400000	nM
P08684	CHEMBL3640785	O=NCc1oc(cc1)c2cccnc2	400000	nM
P08684	CHEMBL3633460	COc1ccc(Cl)cc1C2=CC(=O)NC(=S)N2CC(=O)N	100000	nM
P08684	CHEMBL3633460	COc1ccc(Cl)cc1C2=CC(=O)NC(=S)N2CC(=O)N	100000	nM
P08684	CHEMBL3682505	CC(C)C(c1ccc2cc(OCC(F)(F)F)ccc2c1)n3ncnn3	60000	nM
P08684	CHEMBL3682507	CC(C)C(c1ccc2cc(OC(F)F)ccc2c1)n3ncnn3	200000	nM
P08684	CHEMBL3682508	CC(C)C(O)c1ccc2cc(OCC(F)(F)F)ccc2c1	200000	nM
P08684	CHEMBL3682506	COc1cc2ccc(cc2cc1OC)C(C(C)C)n3ncnn3	200000	nM
P08684	CHEMBL3640764	NCC1CCC(O1)c2cccnc2	64710	nM
P08684	CHEMBL3741545	COCCN1CCN(CC1)C(=O)c2nc3cc(c(C)c(c3s2)[N+](=O)[O-])C(F)(F)F	95000	nM
P08684	CHEMBL3739831	Cc1c(cc2nc(sc2c1[N+](=O)[O-])C3=N[C@@H](CO3)C(=O)N4CCCC4)C(F)(F)F	100000	nM
P08684	CHEMBL3764774	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)CN3C=Nc4ccccc4C3=O)cc2)N1)c5ccccc5	96000	nM
P08684	CHEMBL3764088	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)CN3N=CC=CC3=O)cc2)N1)c4ccccc4	100000	nM
P08684	CHEMBL3763594	O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)CN3C=CC=NC3=O)cc2)N1)c4ccccc4	100000	nM
P08684	CHEMBL3785556	O[C@@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc3cc(Cl)ccc3n4cnnn4)c5ccccc5	100000	nM
P08684	CHEMBL3785177	O[C@@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)NCc3cc(Cl)ccc3n4cnnn4)c5ccccc5	100000	nM
P08684	CHEMBL3740669	COC(=O)N1CCC(CN2C[C@@H]3[C@@H](CNC(=O)c4nc(C(C)C)n5ccccc45)[C@@H]3C2)CC1	54300	nM
P08684	CHEMBL3814729	NCCCCCC(=O)NCc1cccnc1	1000000	nM
P08684	CHEMBL3814075	CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1	75000	nM
P08684	CHEMBL3828718	COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(oc2C)c3ccc(Cl)cc3)ccc1F	150000	nM
P09874	CHEMBL16751	COc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2	100000	nM
P09874	CHEMBL480233	COc1ccc(cc1)c2cnc3c(cccc3c2)C(=O)N	62000	nM
P09874	CHEMBL1163173	Clc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	100000	nM
P09874	CHEMBL123798	COc1cccc2c(O)nc(nc12)c3ccc(cc3)C(F)(F)F	100000	nM
P09874	CHEMBL1140	NC(=O)c1cccnc1	210000	nM
P09874	CHEMBL1140	NC(=O)c1cccnc1	210000	nM
P09874	CHEMBL1140	NC(=O)c1cccnc1	210000	nM
P09874	CHEMBL28	Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2	100000	nM
P09874	CHEMBL562310	O=C(Nc1cccc2cccnc12)c3ccc(cc3)N4C(=O)[C@@H]5[C@H]6C[C@H](C=C6)[C@@H]5C4=O	85000	nM
P09874	CHEMBL562310	O=C(Nc1cccc2cccnc12)c3ccc(cc3)N4C(=O)[C@@H]5[C@H]6C[C@H](C=C6)[C@@H]5C4=O	100000	nM
P09874	CHEMBL18688	Oc1nc(nc2ccccc12)c3ccc(F)cc3	100000	nM
P09874	CHEMBL479635	NC(=O)c1cccc2cc(cnc12)c3cccc(c3)C(F)(F)F	52000	nM
P09874	CHEMBL1688212	O=C1NCCc2ccccc12	100000	nM
P09874	CHEMBL1707591	CC(C)CC(=O)Nc1nnc2SCCn12	55300	nM
P09874	CHEMBL1767059	O=C(Nc1cccc2C(=O)NC=Cc12)C3CCCCC3	80000	nM
P09874	CHEMBL1767060	CC(C)(C)C(=O)Nc1cccc2C(=O)NC=Cc12	100000	nM
P09874	CHEMBL2058057	Brc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	100000	nM
P09874	CHEMBL2323532	Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)NC4CC(=O)c5ccccc45	83900	nM
P09874	CHEMBL2323227	OC1CC2N(CCc3cccc1c23)C(=O)c4cc(CC5=NNC(=O)c6ccccc56)ccc4F	86200	nM
P09874	CHEMBL2322615	O=C(NC1CNC(=O)c2ccccc12)c3cccc(CC4=NNC(=O)c5ccccc45)c3	145750	nM
P09874	CHEMBL2323225	Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCc5cccc6NC(=O)CC4c56	387000	nM
P09874	CHEMBL2323531	NC1CC2N(CCc3cccc1c23)C(=O)c4cc(CC5=NNC(=O)c6ccccc56)ccc4F	76600	nM
P09874	CHEMBL2322614	Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)NC4CNC(=O)c5ccccc45	86340	nM
P09874	CHEMBL2323223	Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCc5cccc6CNCC4c56	156000	nM
P09874	CHEMBL2381946	CC1(C)OC(=O)N([C@@H]2CC[C@H](CC2)N3C(=O)Nc4c(F)c(ccc34)C#N)[C@H]1c5ccccc5	85000	nM
P09874	CHEMBL2381936	CC1(C)OC(=O)N([C@@H]2CC[C@H](CC2)NC(=O)c3ccnc4cc(F)cnc34)[C@H]1c5ccccc5	85000	nM
P09874	CHEMBL2419892	FC(F)(F)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	100000	nM
P09874	CHEMBL2381945	CC1(C)OC(=O)N([C@@H]2CC[C@H](CC2)N3C(=O)Nc4cc(C#N)c(F)cc34)[C@H]1c5ccccc5	85000	nM
P09874	CHEMBL2419716	O=C(CCc1ccccc1)N(CC2=NC3=C(COCC3)C(=O)N2)Cc4ccsc4	71200	nM
P09874	CHEMBL3099716	CC1(C)OC(=O)N([C@@H]2CC[C@H](CC2)c3cnc(N)c(c3)c4ncccn4)[C@H]1c5ccccc5	85000	nM
P09874	CHEMBL3099720	CC1(C)OC(=O)N([C@H]1c2ccccc2)c3ccc(cc3)c4cnc(N)c(c4)c5ncccn5	85000	nM
P09874	CHEMBL3099718	CC1(C)OC(=O)N([C@@H]2CC[C@H](CC2)c3cnc(N)c(c3)C#N)[C@H]1c4ccccc4	85000	nM
P09874	CHEMBL3594136	CC(C)c1ccc(cc1)C2NC(=O)c3ccccc3N2	100000	nM
P09874	CHEMBL3594137	CC(C)(C)c1ccc(cc1)C2NC(=O)c3ccccc3N2	100000	nM
P09874	CHEMBL3416132	Clc1ccc2CCNC(=O)c2c1	100000	nM
P09874	CHEMBL3629675	FC(F)(F)c1ccc2CCNC(=O)c2c1	100000	nM
P09874	CHEMBL3629677	COc1ccc2CCNC(=O)c2c1	100000	nM
P09874	CHEMBL3629672	Fc1ccc2CCNC(=O)c2c1	100000	nM
P09874	CHEMBL3629673	Brc1ccc2CCNC(=O)c2c1	100000	nM
P09874	CHEMBL3629674	Cc1ccc2CCNC(=O)c2c1	100000	nM
P09874	CHEMBL3752386	COc1ccc(cc1)C2(CNC(=O)c3ccc(NC(=O)c4occc4)cc3Cl)CCOCC2	100000	nM
P09874	CHEMBL3752492	COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccncn3)c4ccccc4Cl	77000	nM
P09874	CHEMBL3827963	COc1cccc2C(=O)NC(=Nc12)c3ccc(Br)cc3	100000	nM
P10721	CHEMBL554	CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL1668412	COc1cc(O)c2C(=O)O[C@@H](C)C[C@@H](Cl)CC(=O)CCC\C=C\c2c1	100000	nM
P10721	CHEMBL1668417	COc1cc(O)c2C(=O)O[C@@H](C)C[C@@H](Br)CC(=O)CCC\C=C/c2c1	81000	nM
P10721	CHEMBL228043	C\C(=C(/C#N)\C(=O)Nc1cc(Br)ccc1Br)\O	500000	nM
P10721	CHEMBL1668416	COc1cc(O)c2C(=O)O[C@@H](C)C[C@@H](Cl)CC(=O)CCC\C=C/c2c1	100000	nM
P10721	CHEMBL941	CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1	100000	nM
P10721	CHEMBL3344215	CS(=O)(=O)C[C@@H](N)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344209	CS(=O)(=O)CC(N)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344213	CC(C)NC(CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344214	CS(=O)(=O)CCNC(CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344217	CCC(=O)ON[C@H](CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344216	CN(C)[C@H](CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344218	CCCCC(=O)ON[C@H](CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344219	CCCCCCC(=O)ON[C@H](CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344208	CN(C)C(CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344220	CS(=O)(=O)C[C@H](N)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344221	CN(C)[C@@H](CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344212	CS(=O)(=O)CC(NC1CCCCC1)c2oc(cc2)c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3	200000	nM
P10721	CHEMBL3344210	CNC(CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3344211	CCNC(CS(=O)(=O)C)c1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	200000	nM
P10721	CHEMBL3629013	N#Cc1ccnc(Nc2cc(C3CCN(CC3)C4COC4)n(n2)C5CCCC5)c1	534000	nM
P10721	CHEMBL3800138	COC(Cn1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14)OC	100000	nM
P10721	CHEMBL3799221	CCOC(Cn1nc(c2cnc3[nH]ccc3c2)c4c(N)ncnc14)OCC	100000	nM
P10721	CHEMBL3800481	CCOC(Cn1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14)OCC	100000	nM
P10721	CHEMBL3797590	Nc1oc2ccc(cc2n1)c3nn(CC4OCCO4)c5ncnc(N)c35	100000	nM
P00918	CHEMBL424	OC(=O)c1ccccc1O	680000	nM
P00918	CHEMBL1094528	O[C@@H]1C2C[C@@H](O[N+](=O)[O-])C1c3ccccc23	98100	nM
P00918	CHEMBL469318	OC(=O)c1ccc(cc1O)S(=O)(=O)O	720000	nM
P00918	CHEMBL556256	O[C@H]1CCCCCC[C@@H]1O[N+](=O)[O-]	181000	nM
P00918	CHEMBL1094530	O[C@H]1C[C@H](O)[C@H](C[C@@H]1O[N+](=O)[O-])O[N+](=O)[O-]	86300	nM
P00918	CHEMBL1094857	O[C@@H]1C2CCC1[C@@H](C2)O[N+](=O)[O-]	65100	nM
P00918	CHEMBL402794	CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCC	66906	nM
P00918	CHEMBL338802	NC(=NS(=O)(=O)c1ccc(N)cc1)N	100000	nM
P00918	CHEMBL563619	OC[C@H](O[N+](=O)[O-])c1ccccc1	632000	nM
P00918	CHEMBL1094531	O[C@@H]1[C@H](O)[C@H](CC[C@H]1O[N+](=O)[O-])O[N+](=O)[O-]	129000	nM
P00918	CHEMBL1169	Nc1ccc(C(=O)O)c(O)c1	750000	nM
P00918	CHEMBL148680	COC(=O)c1ccccc1S(=O)(=O)N	73900	nM
P00918	CHEMBL1094856	O[C@@H]1C2CCC1[C@H](C2)O[N+](=O)[O-]	73100	nM
P00918	CHEMBL1084673	NS(=O)(=O)NCc1c[nH]c2ccccc12	300000	nM
P00918	CHEMBL25	CC(=O)Oc1ccccc1C(=O)O	1160000	nM
P00918	CHEMBL1088204	CC(NS(=O)(=O)N)c1csc2ccccc12	130000	nM
P00918	CHEMBL448399	Cc1cccc(C(=O)O)c1O	4700000	nM
P00918	CHEMBL229241	OC(=O)c1cc(ccc1O)S(=O)(=O)O	290000	nM
P00918	CHEMBL1084920	NS(=O)(=O)NCc1csc2ccc(Br)cc12	100000	nM
P00918	CHEMBL177623	NS(=O)(=O)NCC1Oc2ccccc2O1	71000	nM
P00918	CHEMBL177623	NS(=O)(=O)NCC1Oc2ccccc2O1	129000	nM
P00918	CHEMBL562358	O[C@H]1CCCC[C@@H]1O[N+](=O)[O-]	560000	nM
P00918	CHEMBL1094529	O[C@H]1C[C@H](O[N+](=O)[O-])[C@@H](O)C[C@@H]1O[N+](=O)[O-]	113000	nM
P00918	CHEMBL175644	NS(=O)(=O)NCC1CCc2ccccc2O1	130000	nM
P00918	CHEMBL175644	NS(=O)(=O)NCC1CCc2ccccc2O1	71000	nM
P00918	CHEMBL466517	NS(=O)(=O)NCc1csc2ccccc12	66000	nM
P00918	CHEMBL466517	NS(=O)(=O)NCc1csc2ccccc12	110000	nM
P00918	CHEMBL466517	NS(=O)(=O)NCc1csc2ccccc12	110000	nM
P00918	CHEMBL180570	OP(=O)(O)CP(=O)(O)O	1250000	nM
P00918	CHEMBL1096674	[O-][N+](=O)O[C@@H]1CC[C@H](Br)[C@@H]2CC[C@H]1O2	110000	nM
P00918	CHEMBL555721	O[C@H]1CC=CC[C@@H]1O[N+](=O)[O-]	790000	nM
P00918	CHEMBL559615	O[C@H]1CC\C=C/CC[C@@H]1O[N+](=O)[O-]	243000	nM
P00918	CHEMBL3093008	COc1cccc2OC[C@H](CNS(=O)(=O)N)Oc12	300000	nM
P00918	CHEMBL3092997	NS(=O)(=O)NC[C@H]1COc2ccccc2O1	97000	nM
P00918	CHEMBL3093002	NS(=O)(=O)NC[C@H]1COc2c(Cl)cccc2O1	220000	nM
P00918	CHEMBL3092998	NS(=O)(=O)NC[C@@H]1COc2ccccc2O1	77000	nM
P00918	CHEMBL3093006	NS(=O)(=O)NC[C@H]1COc2cc(F)ccc2O1	75000	nM
P00918	CHEMBL3093000	CN(C)S(=O)(=O)NCC1COc2ccccc2O1	1000000	nM
P00918	CHEMBL3093005	NS(=O)(=O)NC[C@H]1COc2c(F)cccc2O1	70000	nM
P00918	CHEMBL3092996	NS(=O)(=O)NCC1COc2ccccc2O1	130000	nM
P00918	CHEMBL3093004	NS(=O)(=O)NC[C@H]1COc2cccc(Cl)c2O1	56000	nM
P00918	CHEMBL3092999	CN(CC1COc2ccccc2O1)S(=O)(=O)N	85000	nM
P00918	CHEMBL3291005	Cc1ccc(cc1)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O	100000	nM
P00918	CHEMBL3291000	OP(=O)(O)C(NS(=O)(=O)c1ccccc1)P(=O)(O)O	100000	nM
P00523	CHEMBL522387	CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)c4cccc(N)c4	64100	nM
O60674	CHEMBL228043	C\C(=C(/C#N)\C(=O)Nc1cc(Br)ccc1Br)\O	500000	nM
O60674	CHEMBL278041	Oc1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4	100000	nM
O60674	CHEMBL3120963	Cn1c(nc(c2ccc(F)cc2)c1c3ccncc3)c4cn(CCO)nn4	100000	nM
O60674	CHEMBL3120970	C[C@H](Nc1nccc(n1)c2c(nc3nc(N)ccn23)c4ccc(F)cc4)c5ccccc5	100000	nM
O60674	CHEMBL3120960	Cn1c(nc(c2ccc(F)cc2)c1c3ccncc3)c4c[nH]nn4	100000	nM
O60674	CHEMBL3120969	CCOP(=O)(CCn1cc(nn1)c2nc(c3ccc(F)cc3)c(c4ccncc4)n2C)OCC	100000	nM
O60674	CHEMBL3120985	[Na+].[Na+].Cn1c(nc(c2ccc(F)cc2)c1c3ccncc3)c4cn(CCP(=O)([O-])[O-])nn4	100000	nM
O60674	CHEMBL3120983	Cn1c(nc(c2ccc(F)cc2)c1c3ccncc3)c4cn(nn4)c5cccc(c5)C(=O)O	100000	nM
O60674	CHEMBL3120995	Cn1c(nc(c2ccc(F)cc2)c1c3ccncc3)c4cn(nn4)c5ccc(cc5)C(=O)O	100000	nM
O60674	CHEMBL3120986	Cl.Cn1c(nc(c2ccc(F)cc2)c1c3ccncc3)c4cn(nn4)[C@H]5CCNC[C@@H]5F	100000	nM
O60674	CHEMBL3360840	Nc1nc2cccc(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1	100000	nM
O60674	CHEMBL3314274	CCOP(=O)(CCn1cc(nn1)c2ccn3c(c4ccnc(SC)n4)c(nc3n2)c5ccc(F)cc5)OCC	100000	nM
O60674	CHEMBL3314286	CSc1nccc(n1)c2[nH]c(nc2c3ccc(F)cc3)c4ccc(cc4)C#C	100000	nM
O60674	CHEMBL3314285	CSc1nccc(n1)c2[nH]c(nc2c3ccc(F)cc3)c4ccc(O)cc4	100000	nM
O60674	CHEMBL3314271	CSc1nccc(n1)c2c(nc3nc(N)ccn23)c4ccc(F)cc4	100000	nM
O60674	CHEMBL3314275	[Na+].[Na+].CSc1nccc(n1)c2c(nc3nc(ccn23)c4cn(CCP(=O)([O-])[O-])nn4)c5ccc(F)cc5	100000	nM
O60674	CHEMBL3314270	Cn1c(nc(c2ccc(F)cc2)c1c3ccncc3)c4cn(nn4)[C@H]5[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]5O	100000	nM
O60674	CHEMBL3314273	[Na+].CSc1nccc(n1)c2c(nc3nc(ccn23)c4cn(CC(=O)[O-])nn4)c5ccc(F)cc5	100000	nM
O60674	CHEMBL3314272	CSc1nccc(n1)c2c(nc3nc(ccn23)C#C)c4ccc(F)cc4	100000	nM
O60674	CHEMBL3355482	CN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3	100000	nM
O60674	CHEMBL3622826	NCCn1c(nc2cc(ccc12)C(=O)N)C3CCNCC3	437300	nM
O60674	CHEMBL3622924	Cc1cc(C)cc(Nc2nccc(n2)n3cc(C)c(CN4CC[C@@H](O)C4)c3)c1	115300	nM
O60674	CHEMBL3622956	Cc1nn(cc1CN2CC(O)C2)c3ccnc(Nc4ccc5c(c4)c(Cl)c(C)n5C)n3	111900	nM
O60674	CHEMBL3622957	Cc1nn(cc1CN2CC[C@@H](O)C2)c3ccnc(Nc4ccc5c(c4)c(Cl)c(C)n5C)n3	162400	nM
O60674	CHEMBL3622958	Cc1nn(cc1CN2CC(O)C2)c3ccnc(Nc4ccc5c(c4)c(C)c(C)n5C)n3	138200	nM
O60674	CHEMBL3645543	O=S(=O)(Nc1cccc(c1)c2cnc3ccccc3n2)c4cccs4	55500	nM
Q16539	CHEMBL10	C[S+]([O-])c1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4	136000	nM
Q16539	CHEMBL1213975	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1	100000	nM
Q16539	CHEMBL202863	Nc1c(cnn1c2ccccc2)\C(=N\O)\c3ccccc3	51000	nM
Q16539	CHEMBL1213923	CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)CC1	100000	nM
Q16539	CHEMBL226403	O=C1NCCc2[nH]c(cc12)c3ccnc(c3)c4cnc5ccccc5c4	100000	nM
Q16539	CHEMBL194009	Nc1ncccc1OCc2ccccc2	1300000	nM
Q16539	CHEMBL194009	Nc1ncccc1OCc2ccccc2	100000	nM
Q16539	CHEMBL202684	Nc1c(cnn1c2cccc(c2)[N+](=O)[O-])C(=O)c3ccccc3	64200	nM
Q16539	CHEMBL202684	Nc1c(cnn1c2cccc(c2)[N+](=O)[O-])C(=O)c3ccccc3	56000	nM
Q16539	CHEMBL1213922	CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1	100000	nM
Q16539	CHEMBL1256391	CC1=CN(C(=O)C=C1)c2ccccc2	165400	nM
Q16539	CHEMBL228043	C\C(=C(/C#N)\C(=O)Nc1cc(Br)ccc1Br)\O	500000	nM
Q16539	CHEMBL34704	N\C(=C(\C#N)/C(=C(\N)/Sc1ccccc1N)/C#N)\Sc2ccccc2N	55000	nM
Q16539	CHEMBL1276308	CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c5ccc(cc5)N(C)C	83061	nM
Q16539	CHEMBL226471	Fc1ccccc1c2cc(ccn2)c3cc4C(=O)NCCc4[nH]3	87000	nM
Q16539	CHEMBL203735	O=C(c1ccccc1)c2cnn(c3ccccc3)c2C#N	100000	nM
Q16539	CHEMBL941	CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1	100000	nM
Q16539	CHEMBL201307	COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN5CCC(CO)CC5	100000	nM
Q16539	CHEMBL379849	Fc1ccccc1\C=C\2/CNC\C(=C/c3ccccc3F)\C2=O	92000	nM
Q16539	CHEMBL436817	Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl	100000	nM
Q16539	CHEMBL2031243	CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(ccc4C)C(=O)Nc5ncc(C)s5	50118.72	nM
Q16539	CHEMBL2059870	Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4c(C)nn(C)c4C	100000	nM
Q16539	CHEMBL2059871	Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4cc(n[nH]4)C(F)(F)F	100000	nM
Q16539	CHEMBL2031223	CN1CCN(CC1)c2ccc3N=C(C)N(C(=O)c3c2)c4cc(NC(=O)c5ccccc5)ccc4C	50118.72	nM
Q16539	CHEMBL2029367	CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5nccs5)ccc4C	50118.72	nM
Q16539	CHEMBL2059868	Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4[nH]cnc4C	100000	nM
Q16539	CHEMBL2059869	Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4cn(C)c(C)n4	100000	nM
Q16539	CHEMBL2152959	CC1(C)OC[C@@H](COc2ccc3C(=O)c4ccc(Nc5ccc(F)cc5F)cc4CCc3c2)O1	123000	nM
Q16539	CHEMBL2059862	Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4ncc(C)n4C	100000	nM
Q16539	CHEMBL2152963	CC1(C)OC[C@H](COc2ccc3C(=O)c4ccc(Nc5ccccc5N)cc4CCc3c2)O1	93600	nM
Q16539	CHEMBL2152972	CC1(C)OC[C@H](COc2cccc3C(=O)c4ccc(Nc5ccccc5N)cc4CCc23)O1	158000	nM
Q16539	CHEMBL2152969	OC[C@@H](O)COc1cccc2C(=O)c3ccc(Nc4ccc(F)cc4F)cc3CCc12	100000	nM
Q16539	CHEMBL2152965	COc1cccc2C(=O)c3ccc(Nc4ccc(F)cc4F)cc3CCc12	78700	nM
Q16539	CHEMBL2152971	COc1cccc2C(=O)c3ccc(Nc4ccccc4N)cc3CCc12	52100	nM
Q16539	CHEMBL2152967	Fc1ccc(Nc2ccc3C(=O)c4cccc(C5CCOCC5)c4CCc3c2)c(F)c1	87200	nM
Q16539	CHEMBL2152790	COc1ccc2CCc3cc(Nc4ccc(F)c(F)c4F)ccc3C(=O)c2c1	81000	nM
Q16539	CHEMBL2152970	Fc1ccc(Nc2ccc3C(=O)c4cccc(OCCN5CCOCC5)c4CCc3c2)c(F)c1	200000	nM
Q16539	CHEMBL2152973	Nc1ccccc1Nc2ccc3C(=O)c4cccc(OC[C@H](O)CO)c4CCc3c2	78800	nM
Q16539	CHEMBL2152957	CC1(C)OC[C@H](COc2ccc3C(=O)c4ccc(Nc5ccc(F)cc5F)cc4CCc3c2)O1	170000	nM
Q16539	CHEMBL2036343	O=C1\C(=C\c2ccccn2)\CSC/C/1=C\c3ccccn3	100000	nM
Q16539	CHEMBL2338335	CN1C[C@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
Q16539	CHEMBL2338333	CN1C\C(=C/c2ccccn2)\C(=O)\C(=C\c3ccccn3)\C1	100000	nM
Q16539	CHEMBL2338334	CN1C[C@@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
Q16539	CHEMBL3120962	Fc1ccc(cc1)c2nc(oc2c3ccncc3)c4cn(Cc5ccccc5)nn4	158000	nM
Q16539	CHEMBL3099806	CC1=CN(C(=O)C=C1)c2ccc(OCCN3CCCCC3)cc2	54310	nM
Q16539	CHEMBL3086702	Nc1cc(F)ccc1Nc2ccc3C(=O)c4ccc(OCCN5CCOCC5)cc4COc3c2	94800	nM
Q16539	CHEMBL3086109	OC[C@H](O)COc1cccc2C(=O)c3ccc(Nc4ccc(F)cc4F)cc3OCc12	90410	nM
Q16539	CHEMBL3087474	O=C(Nc1cccc(Nc2ccc3C(=O)c4cccc(OCCN5CCOCC5)c4COc3c2)c1)c6cocc6	51380	nM
Q16539	CHEMBL3086699	COc1ccc2C(=O)c3ccc(Nc4ccccc4N)cc3OCc2c1	71790	nM
Q16539	CHEMBL3086700	Fc1ccc(Nc2ccc3C(=O)c4ccc(OCCN5CCOCC5)cc4COc3c2)c(F)c1	71790	nM
Q16539	CHEMBL3086701	Nc1ccccc1Nc2ccc3C(=O)c4ccc(OCCN5CCOCC5)cc4COc3c2	58730	nM
Q16539	CHEMBL3120969	CCOP(=O)(CCn1cc(nn1)c2nc(c3ccc(F)cc3)c(c4ccncc4)n2C)OCC	100000	nM
Q16539	CHEMBL3121003	CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@@H]([C@@H](OC(=O)C)[C@@H]1OC(=O)C)n2cc(nn2)c3oc(c4ccncc4)c(n3)c5ccc(F)cc5	100000	nM
Q16539	CHEMBL3120991	CCOC(=O)Cn1nncc1c2nc(c3ccc(F)cc3)c(c4ccncc4)n2C	56000	nM
Q16539	CHEMBL3121002	CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@@H]([C@@H](OC(=O)C)[C@@H]1OC(=O)C)n2cc(nn2)c3nc(c4ccc(F)cc4)c(c5ccncc5)n3C	100000	nM
Q16539	CHEMBL3087481	CC1(C)OC[C@@H](COc2ccc3C(=O)c4ccc(Nc5ccc(F)cc5F)cc4OCc3c2)O1	91190	nM
Q16539	CHEMBL3144705	CC1=C(C(=O)c2ccccc2)C(=O)N(N1)c3ccccc3	100000	nM
Q16539	CHEMBL3314280	[Na+].[Na+].[O-]P(=O)([O-])CCn1cc(nn1)c2ccc(cc2)c3nc(c4ccc(F)cc4)c([nH]3)C5=CC(=O)NC=C5	100000	nM
Q16539	CHEMBL3314279	CCOP(=O)(CCn1cc(nn1)c2ccc(cc2)c3nc(c4ccc(F)cc4)c([nH]3)C5=CC(=O)NC=C5)OCC	100000	nM
Q16539	CHEMBL3314286	CSc1nccc(n1)c2[nH]c(nc2c3ccc(F)cc3)c4ccc(cc4)C#C	82100	nM
Q16539	CHEMBL3314275	[Na+].[Na+].CSc1nccc(n1)c2c(nc3nc(ccn23)c4cn(CCP(=O)([O-])[O-])nn4)c5ccc(F)cc5	100000	nM
Q16539	CHEMBL3393294	O=C(NCc1ccccc1)c2ccc(Oc3ccccc3C#N)cc2	100000	nM
Q16539	CHEMBL3393063	O=C(NCc1ccncn1)c2ccc(Oc3ccccc3C#N)cc2	100000	nM
Q16539	CHEMBL3393300	CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(OCc4ccccc4)ccc3C	100000	nM
Q16539	CHEMBL3393300	CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(OCc4ccccc4)ccc3C	100000	nM
P12821	CHEMBL572982	OC(CCc1ccc(cc1)c2ccccc2)CC(=O)O	250000	nM
P12821	CHEMBL572982	OC(CCc1ccc(cc1)c2ccccc2)CC(=O)O	250000	nM
P12821	CHEMBL572982	OC(CCc1ccc(cc1)c2ccccc2)CC(=O)O	250000	nM
P12821	CHEMBL191879	CC(=O)S[C@@H]1C[C@@H](COCc2cc(F)c(F)cc2F)N(C1)C(=O)Oc3cccc4OCCOc34	100000	nM
P12821	CHEMBL193490	Fc1cc(F)c(COC[C@@H]2C[C@H](CN2C(=O)Oc3cccc4OCCOc34)SC(=O)c5ccccc5)cc1F	100000	nM
P12821	CHEMBL512569	OCl(=O)(=O)=O.O=C1N(c2ccncc2)S(=O)(=O)C3=C1CCCC3	100000	nM
P12821	CHEMBL513281	Clc1cccc(n1)N2C(=O)C3=C(CCCC3)S2(=O)=O	100000	nM
P12821	CHEMBL192441	CC(C)OC(=O)N1C[C@H](S)CC1CNCc2cc(F)ccc2F	100000	nM
P12821	CHEMBL512758	CC1=C(C)S(=O)(=O)N(C1=O)c2c(F)c(F)nc(F)c2F	100000	nM
P12821	CHEMBL461946	CC1=C(C(=O)N(c2c(F)c(F)nc(F)c2F)S1(=O)=O)c3ccccc3	100000	nM
P12821	CHEMBL459683	Brc1cccc(n1)N2C(=O)C3=C(CCCC3)S2(=O)=O	100000	nM
P12821	CHEMBL459684	Fc1cnc(N2C(=O)C3=C(CCCC3)S2(=O)=O)c(F)c1	100000	nM
P12821	CHEMBL461945	Fc1nc(F)c(F)c(N2C(=O)C3=C(CCCC3)S2(=O)=O)c1F	100000	nM
P12821	CHEMBL503392	Fc1c(F)c(F)c(N2C(=O)C3=C(CCCC3)S2(=O)=O)c(F)c1F	100000	nM
P12821	CHEMBL518500	Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F	100000	nM
P12821	CHEMBL3235416	CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc2ccccc2)CC(=O)O	100000	nM
P12821	CHEMBL3581908	NC(=N)NCCC[C@H](NC(=O)C1CSSC1)C(=O)O	113000	nM
P12821	CHEMBL3581909	OC[C@H]1OC(OC(=O)C2CSSC2)[C@H](O)[C@@H](O)[C@@H]1O	347000	nM
Q02750	CHEMBL518060	CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
Q02750	CHEMBL456936	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
Q02750	CHEMBL1668420	COc1cc(O)c2C(=O)O[C@@H](C)C\C=C\C(=O)CCC\C=C/c2c1	100000	nM
Q02750	CHEMBL515982	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
Q02750	CHEMBL464351	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
Q02750	CHEMBL456294	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
Q02750	CHEMBL1922225	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
Q02750	CHEMBL1922224	CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C	100000	nM
Q02750	CHEMBL2338335	CN1C[C@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
Q02750	CHEMBL2338334	CN1C[C@@H](Cc2ccccn2)C(=O)\C(=C\c3ccccn3)\C1	100000	nM
Q02750	CHEMBL2391619	Nc1n[nH]c2cccc(C#N)c12	300000	nM
Q02750	CHEMBL2391615	O=C1NC=Cc2cc(OC[C@@H]3CCCNC3)ccc12	491000	nM
Q02750	CHEMBL2391618	Clc1cc2C(=O)NC=Cc2cc1OC[C@@H]3CCNC3	157000	nM
Q02750	CHEMBL3109404	COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1	100000	nM
Q02750	CHEMBL3109401	CC(C)CCNC1=CC(=O)C(=C(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)C1=O)O	100000	nM
Q02750	CHEMBL3109402	COc1cc2nc(C)oc2c(C[C@]3(C)[C@@H](C)CC[C@]4(C)[C@H]3CCC=C4C)c1O	100000	nM
Q02750	CHEMBL3104854	Cc1c(O)c(O)c(O)c2C(=O)OCc12	100000	nM
P15121	CHEMBL686	Cc1cccc(Nc2ccccc2C(=O)O)c1C	77000	nM
P15121	CHEMBL150372	OC1=Cc2ccccc2OC1=O	62000	nM
P15121	CHEMBL301141	OC1=CC(=O)Oc2ccccc12	400000	nM
P15121	CHEMBL66879	OC(=O)\C=C\c1ccc(O)cc1	76000	nM
P15121	CHEMBL8145	Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O	161800	nM
P15121	CHEMBL390320	COc1cc2OC(=O)C=Cc2cc1O	56200	nM
P15121	CHEMBL244743	Oc1cc2OC(=O)C=Cc2cc1O	67200	nM
P15121	CHEMBL71851	COc1cc2C=CC(=O)Oc2cc1O	74400	nM
P15121	CHEMBL402947	OC[C@H]1O[C@@H](Oc2ccc(cc2O)C3=C(O)C(=O)c4c(O)cc(O)cc4O3)[C@H](O)[C@@H](O)[C@@H]1O	95310	nM
P15121	CHEMBL313244	CC1=CC(=O)Oc2cc(O)c(O)cc12	64400	nM
P15121	CHEMBL131921	COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O	127000	nM
P15121	CHEMBL1255817	OC(=O)CC1=CC(=O)Oc2cc(O)c(O)cc12	63300	nM
P15121	CHEMBL233930	OC[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O	60500	nM
P15121	CHEMBL201515	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	72000	nM
P15121	CHEMBL1235556	OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c4cccnc14	100000	nM
P15121	CHEMBL1095008	CC(=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]4CC[C@@]23C)C	200000	nM
P15121	CHEMBL6466	O=C1Oc2ccccc2C=C1	500000	nM
P15121	CHEMBL49732	COc1ccc2C=CC(=O)Oc2c1	67500	nM
P15121	CHEMBL49732	COc1ccc2C=CC(=O)Oc2c1	131000	nM
P15121	CHEMBL230006	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O	280000	nM
P15121	CHEMBL1086927	COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H]3O	189400	nM
P15121	CHEMBL139	OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl	100000	nM
P15121	CHEMBL168	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O	124000	nM
P15121	CHEMBL400074	CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1	84000	nM
P15121	CHEMBL602899	C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H]3O	193500	nM
P15121	CHEMBL1255818	Oc1cc2OC(=O)C=C(c3ccccc3)c2cc1O	66300	nM
P15121	CHEMBL487417	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)cc4	566660	nM
P15121	CHEMBL398412	CC(=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]4CC[C@@]23C)C	200000	nM
P15121	CHEMBL1087180	C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4C[C@@H]3O	193500	nM
P15121	CHEMBL466844	CC(=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@H](C[C@@]23C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C	200000	nM
P15121	CHEMBL243263	Oc1ccc2OC(=O)C=Cc2c1	171000	nM
P15121	CHEMBL1783834	CC(=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]23C)C	147300	nM
P15121	CHEMBL1780235	Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(=O)O)c2n1	100000	nM
P15121	CHEMBL1780236	CCc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(=O)O)c2n1	100000	nM
P15121	CHEMBL1783835	CC(=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]23C)C	200000	nM
P15121	CHEMBL1940389	Oc1cccc(\C=C\C(=O)OCCc2ccccc2)c1	73000	nM
P15121	CHEMBL1922170	C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3=O	193500	nM
P15121	CHEMBL1922181	COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H]3O	189400	nM
P15121	CHEMBL1922172	C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC3=O	194400	nM
P15121	CHEMBL1922173	COC(=O)C(C)CC(=O)\C=C(/C)\[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H]3O	183900	nM
P15121	CHEMBL1922180	C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H]3O	194400	nM
P15121	CHEMBL1922177	C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(=O)C)[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4C[C@@H]3O	174200	nM
P15121	CHEMBL1922178	C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(=O)C)[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3=O	174700	nM
P15121	CHEMBL1922175	C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4C[C@@H]3O	187900	nM
P15121	CHEMBL1922176	C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3	199200	nM
P15121	CHEMBL1922182	COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4C[C@@H]3O	183900	nM
P15121	CHEMBL1922171	CC(CC(=O)\C=C(/C)\[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H]3O)C(=O)O	119200	nM
P15121	CHEMBL2205002	C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H]3O	195300	nM
P15121	CHEMBL3355096	CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C	200000	nM
P15121	CHEMBL3326514	CC(=CCCC(C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]23C)C	200000	nM
P15121	CHEMBL3355095	CC(=CCC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@H](C[C@@]23C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C	200000	nM
P98170	CHEMBL58910	O[C@H](C(=O)O)c1ccccc1	100000	nM
P98170	CHEMBL58910	O[C@H](C(=O)O)c1ccccc1	100000	nM
P98170	CHEMBL1363082	CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N	100000	nM
P98170	CHEMBL1363082	CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N	100000	nM
P98170	CHEMBL1540763	OC(=O)CN1C(=O)COc2cc(ccc12)S(=O)(=O)N3CCCC3	100000	nM
P98170	CHEMBL1540763	OC(=O)CN1C(=O)COc2cc(ccc12)S(=O)(=O)N3CCCC3	100000	nM
P98170	CHEMBL1465758	Cc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)c4oc(Br)cc4	100000	nM
P98170	CHEMBL1465758	Cc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)c4oc(Br)cc4	100000	nM
P98170	CHEMBL1462851	Cn1ncc(Cl)c1C(=O)N2CCN(CC2)C(=O)c3occc3	100000	nM
P98170	CHEMBL1462851	Cn1ncc(Cl)c1C(=O)N2CCN(CC2)C(=O)c3occc3	100000	nM
P98170	CHEMBL1304499	Cc1ccccc1N2CCN(CC2)c3ccc(NC(=O)\C=C/C(=O)O)cc3	100000	nM
P98170	CHEMBL1304499	Cc1ccccc1N2CCN(CC2)c3ccc(NC(=O)\C=C/C(=O)O)cc3	100000	nM
P98170	CHEMBL1533644	Brc1ccc(C(=O)NCCCN2CCOCC2)c(Br)c1	100000	nM
P98170	CHEMBL1533644	Brc1ccc(C(=O)NCCCN2CCOCC2)c(Br)c1	100000	nM
P98170	CHEMBL1604669	CN(Cc1ccccc1)C(=O)c2ccc3SC(N4CCOCC4)C(=O)Nc3c2	100000	nM
P98170	CHEMBL1604669	CN(Cc1ccccc1)C(=O)c2ccc3SC(N4CCOCC4)C(=O)Nc3c2	100000	nM
P98170	CHEMBL1344492	Cc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1C	100000	nM
P98170	CHEMBL1344492	Cc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1C	100000	nM
P98170	CHEMBL1403433	OC(=O)CCN(Cc1ccccc1)S(=O)(=O)c2ccccc2Cl	100000	nM
P98170	CHEMBL1403433	OC(=O)CCN(Cc1ccccc1)S(=O)(=O)c2ccccc2Cl	100000	nM
P98170	CHEMBL1346052	CC(=O)NCCc1nc2ccccc2n1CCc3ccccc3	100000	nM
P98170	CHEMBL1346052	CC(=O)NCCc1nc2ccccc2n1CCc3ccccc3	100000	nM
P98170	CHEMBL1529357	OC(=O)CN1C(Nc2ccc(Br)cc2C1c3ccccc3)c4ccccc4O	100000	nM
P98170	CHEMBL1529357	OC(=O)CN1C(Nc2ccc(Br)cc2C1c3ccccc3)c4ccccc4O	100000	nM
P98170	CHEMBL1516973	COC(=O)\C=C\C(=O)N1CCN(CC1)c2ccccc2	100000	nM
P98170	CHEMBL1516973	COC(=O)\C=C\C(=O)N1CCN(CC1)c2ccccc2	100000	nM
P98170	CHEMBL1332617	Brc1c[nH]c2nc(SCc3ccccc3C#N)nc2c1	100000	nM
P98170	CHEMBL1332617	Brc1c[nH]c2nc(SCc3ccccc3C#N)nc2c1	100000	nM
P98170	CHEMBL1569205	CCC(C)NC(=O)C(=O)NC1CCCC1	100000	nM
P98170	CHEMBL1569205	CCC(C)NC(=O)C(=O)NC1CCCC1	100000	nM
P98170	CHEMBL1601327	CCCCSc1nnc2c(OC(Nc3ccccc23)C(=O)c4ccccc4)n1	100000	nM
P98170	CHEMBL1581173	Cc1ccnc(c1)N2C(O)c3ccccc3C2=O	100000	nM
P98170	CHEMBL1581173	Cc1ccnc(c1)N2C(O)c3ccccc3C2=O	100000	nM
P98170	CHEMBL1416566	COc1ccc2c(CCc3c2onc3C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c1	100000	nM
P98170	CHEMBL1416566	COc1ccc2c(CCc3c2onc3C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c1	100000	nM
P98170	CHEMBL1550056	CC(C)N(CCO)CC#CCC(O)(c1ccccc1)c2ccccc2	100000	nM
P98170	CHEMBL1550056	CC(C)N(CCO)CC#CCC(O)(c1ccccc1)c2ccccc2	100000	nM
P98170	CHEMBL1444869	ClC1=CN(Cc2ccccc2)C(=O)C(=N1)NCCC#C	100000	nM
P98170	CHEMBL1444869	ClC1=CN(Cc2ccccc2)C(=O)C(=N1)NCCC#C	100000	nM
P98170	CHEMBL1375123	COc1cc2cnc(Cl)nc2cc1OC	100000	nM
P98170	CHEMBL1375123	COc1cc2cnc(Cl)nc2cc1OC	100000	nM
P98170	CHEMBL1425383	COc1ccccc1CN2C(=O)c3ccccc3n4c(SCC(=O)N5CCCCC5)nnc24	100000	nM
P98170	CHEMBL1425383	COc1ccccc1CN2C(=O)c3ccccc3n4c(SCC(=O)N5CCCCC5)nnc24	100000	nM
P98170	CHEMBL1561244	COc1ccc(cc1[N+](=O)[O-])c2nn(cc2\C=C(/C#N)\C(=O)NCC=C)c3ccccc3	100000	nM
P98170	CHEMBL1561244	COc1ccc(cc1[N+](=O)[O-])c2nn(cc2\C=C(/C#N)\C(=O)NCC=C)c3ccccc3	100000	nM
P98170	CHEMBL1505183	CN1CCN(CC1)c2ccccc2NC(=O)c3oc(cc3)c4cccc(c4)[N+](=O)[O-]	100000	nM
P98170	CHEMBL1505183	CN1CCN(CC1)c2ccccc2NC(=O)c3oc(cc3)c4cccc(c4)[N+](=O)[O-]	100000	nM
P98170	CHEMBL1404142	Cc1ccsc1\C=C(/C#N)\C(=O)NCc2occc2	100000	nM
P98170	CHEMBL1404142	Cc1ccsc1\C=C(/C#N)\C(=O)NCc2occc2	100000	nM
P98170	CHEMBL1441575	COc1ccc(cc1)C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c4cccc(OC)c4	100000	nM
P98170	CHEMBL1441575	COc1ccc(cc1)C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c4cccc(OC)c4	100000	nM
P98170	CHEMBL1462669	COc1cc(NC(=O)C2CCCN2S(=O)(=O)c3cccc4cccnc34)cc(OC)c1OC	100000	nM
P98170	CHEMBL1462669	COc1cc(NC(=O)C2CCCN2S(=O)(=O)c3cccc4cccnc34)cc(OC)c1OC	100000	nM
P98170	CHEMBL1322747	CC(C)(Nc1ccccc1)C(=O)c2ccccc2	100000	nM
P98170	CHEMBL1322747	CC(C)(Nc1ccccc1)C(=O)c2ccccc2	100000	nM
P98170	CHEMBL1562386	CN(C)CCCN1C2=C(CCCC2)C(=S)N=C1c3ccccc3	100000	nM
P98170	CHEMBL1562386	CN(C)CCCN1C2=C(CCCC2)C(=S)N=C1c3ccccc3	100000	nM
P98170	CHEMBL1346470	CCC12CN3CCN(CC(C3)C1O)C2	100000	nM
P98170	CHEMBL1346470	CCC12CN3CCN(CC(C3)C1O)C2	100000	nM
P98170	CHEMBL1471211	Clc1ccc(cc1C(=O)N2CCN(CC2)c3nc(cs3)c4ccccc4)n5cnnc5	100000	nM
P98170	CHEMBL1471211	Clc1ccc(cc1C(=O)N2CCN(CC2)c3nc(cs3)c4ccccc4)n5cnnc5	100000	nM
P98170	CHEMBL1460989	NC1=C(NC2CCCCC2)c3ccccc3OC1=O	100000	nM
P98170	CHEMBL1460989	NC1=C(NC2CCCCC2)c3ccccc3OC1=O	100000	nM
P98170	CHEMBL1585673	C(Nc1ccc(cc1)N2CCOCC2)c3ccncc3	100000	nM
P98170	CHEMBL1585673	C(Nc1ccc(cc1)N2CCOCC2)c3ccncc3	100000	nM
P98170	CHEMBL1361854	CN1\C(=C/C=C\2/N=C(OC2=O)c3ccc(F)cc3)\C(C)(C)c4ccccc14	100000	nM
P98170	CHEMBL1480170	Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2CCN4CCOCC4	100000	nM
P98170	CHEMBL1480170	Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2CCN4CCOCC4	100000	nM
P98170	CHEMBL1303568	Cc1cccc(c1)N(CC(=O)N)C2SC(=O)N(C2=O)c3ccccc3	100000	nM
P98170	CHEMBL1303568	Cc1cccc(c1)N(CC(=O)N)C2SC(=O)N(C2=O)c3ccccc3	100000	nM
P98170	CHEMBL1482142	CN(CC(=O)O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F	100000	nM
P98170	CHEMBL1482142	CN(CC(=O)O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F	100000	nM
P98170	CHEMBL1462366	CCOC(=O)C1(CCCc2ccccc2)CCN(CC1)C(=O)C3=C(C)OCCO3	100000	nM
P98170	CHEMBL1462366	CCOC(=O)C1(CCCc2ccccc2)CCN(CC1)C(=O)C3=C(C)OCCO3	100000	nM
P98170	CHEMBL1573887	Cc1ccccc1Oc2nnc(c3cccs3)c4ccccc24	100000	nM
P98170	CHEMBL1573887	Cc1ccccc1Oc2nnc(c3cccs3)c4ccccc24	100000	nM
P98170	CHEMBL1335586	Cc1c(Br)cccc1NC(=O)c2sccc2n3cccc3	100000	nM
P98170	CHEMBL1335586	Cc1c(Br)cccc1NC(=O)c2sccc2n3cccc3	100000	nM
P98170	CHEMBL1333256	COC(=O)c1cc2sccc2n1Cc3nc(oc3C)c4cccc(Cl)c4	100000	nM
P98170	CHEMBL1333256	COC(=O)c1cc2sccc2n1Cc3nc(oc3C)c4cccc(Cl)c4	100000	nM
P98170	CHEMBL1384838	N=C1OC23CCCCC2C1(C#N)C(CO3)(C#N)C#N	100000	nM
P98170	CHEMBL1384838	N=C1OC23CCCCC2C1(C#N)C(CO3)(C#N)C#N	100000	nM
P98170	CHEMBL1334633	CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(=O)O	100000	nM
P98170	CHEMBL1415253	Cc1c(oc2ccccc12)C(=O)N3CCc4ccccc34	100000	nM
P98170	CHEMBL1415253	Cc1c(oc2ccccc12)C(=O)N3CCc4ccccc34	100000	nM
P98170	CHEMBL1428936	CC(C)CC(=NNc1nc(C)cc(O)n1)CC(C)C	100000	nM
P98170	CHEMBL1428936	CC(C)CC(=NNc1nc(C)cc(O)n1)CC(C)C	100000	nM
P98170	CHEMBL1453802	CCCc1nc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N(C)C)c3ccccc3n1	100000	nM
P98170	CHEMBL1453802	CCCc1nc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N(C)C)c3ccccc3n1	100000	nM
P98170	CHEMBL1495774	Fc1cccc(COc2ccccc2CNc3ccccc3)c1	100000	nM
P98170	CHEMBL1495774	Fc1cccc(COc2ccccc2CNc3ccccc3)c1	100000	nM
P98170	CHEMBL1415244	Fc1cccc(Cl)c1CN(C2=NC3CS(=O)(=O)CC3S2)c4ccccc4F	100000	nM
P98170	CHEMBL1415244	Fc1cccc(Cl)c1CN(C2=NC3CS(=O)(=O)CC3S2)c4ccccc4F	100000	nM
P98170	CHEMBL1407184	CC(NC(=O)\C(=C/c1c(C)[nH]c2ccccc12)\C#N)c3ccc(C)cc3	100000	nM
P98170	CHEMBL1407184	CC(NC(=O)\C(=C/c1c(C)[nH]c2ccccc12)\C#N)c3ccc(C)cc3	100000	nM
P98170	CHEMBL1482353	Nc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	100000	nM
P98170	CHEMBL1482353	Nc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	100000	nM
P98170	CHEMBL1402494	CSc1nc(N)nc(SCC(=O)Nc2cccc(F)c2)c1C#N	100000	nM
P98170	CHEMBL1402494	CSc1nc(N)nc(SCC(=O)Nc2cccc(F)c2)c1C#N	100000	nM
P98170	CHEMBL1574059	Cc1ccc(cc1C)c2cc(C(=O)NC3=NCCS3)c4ccccc4n2	100000	nM
P98170	CHEMBL1574059	Cc1ccc(cc1C)c2cc(C(=O)NC3=NCCS3)c4ccccc4n2	100000	nM
P98170	CHEMBL1410609	O=C(Nc1ccc2nn(nc2c1)c3ccccc3)\C=C\c4occc4	100000	nM
P98170	CHEMBL1410609	O=C(Nc1ccc2nn(nc2c1)c3ccccc3)\C=C\c4occc4	100000	nM
P98170	CHEMBL1539491	o1cccc1c2[nH]ncc2N=Nc3ccccc3	100000	nM
P98170	CHEMBL1539491	o1cccc1c2[nH]ncc2N=Nc3ccccc3	100000	nM
P98170	CHEMBL1587232	OCC1(CCc2ccccc2)CCN(Cc3ccc(OC(F)F)cc3)CC1	100000	nM
P98170	CHEMBL1587232	OCC1(CCc2ccccc2)CCN(Cc3ccc(OC(F)F)cc3)CC1	100000	nM
P98170	CHEMBL221612	CCOc1ccccc1NC(=O)C2=C(C)NC(=S)NC2c3cccs3	100000	nM
P98170	CHEMBL221612	CCOc1ccccc1NC(=O)C2=C(C)NC(=S)NC2c3cccs3	100000	nM
P98170	CHEMBL1304016	Cc1nn(c(C)c1Sc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(Cl)cc3	100000	nM
P98170	CHEMBL1304016	Cc1nn(c(C)c1Sc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(Cl)cc3	100000	nM
P98170	CHEMBL1383320	[O-][N+](=O)c1ccc(cc1N2CCOCC2)N3CCN(CC3)C(=O)\C=C\c4ccc(Cl)cc4	100000	nM
P98170	CHEMBL1383320	[O-][N+](=O)c1ccc(cc1N2CCOCC2)N3CCN(CC3)C(=O)\C=C\c4ccc(Cl)cc4	100000	nM
P98170	CHEMBL1563262	CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc2cccc(NC(=O)c3cccs3)c2	100000	nM
P98170	CHEMBL1563262	CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc2cccc(NC(=O)c3cccs3)c2	100000	nM
P98170	CHEMBL1370429	Clc1ccc(CNC(=O)c2ccc3[nH]cnc3c2)cc1	100000	nM
P98170	CHEMBL1370429	Clc1ccc(CNC(=O)c2ccc3[nH]cnc3c2)cc1	100000	nM
P98170	CHEMBL1301971	Brc1ccc(NC(=S)N2CCn3cccc3C2c4cccnc4)cc1	100000	nM
P98170	CHEMBL1301971	Brc1ccc(NC(=S)N2CCn3cccc3C2c4cccnc4)cc1	100000	nM
P98170	CHEMBL181785	CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N	1200000	nM
P98170	CHEMBL1571748	CCOC(=O)N1CCC(CC1)NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)CC	100000	nM
P98170	CHEMBL1571748	CCOC(=O)N1CCC(CC1)NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)CC	100000	nM
P98170	CHEMBL1452292	COc1ccc(NC(=O)\C(=C\c2cccnc2)\NC(=O)c3cccs3)cc1	100000	nM
P98170	CHEMBL1452292	COc1ccc(NC(=O)\C(=C\c2cccnc2)\NC(=O)c3cccs3)cc1	100000	nM
P98170	CHEMBL1587526	COC(=O)Oc1ccc(\C=C\C(=O)OC)cc1OC(=O)OC	100000	nM
P98170	CHEMBL1587526	COC(=O)Oc1ccc(\C=C\C(=O)OC)cc1OC(=O)OC	100000	nM
P98170	CHEMBL1489116	CC(SCc1ccccc1)C(=O)NCc2ccccn2	100000	nM
P98170	CHEMBL1489116	CC(SCc1ccccc1)C(=O)NCc2ccccn2	100000	nM
P98170	CHEMBL1499743	C(Cc1onc(n1)c2ccc(cc2)n3cccc3)c4ccccc4	100000	nM
P98170	CHEMBL1499743	C(Cc1onc(n1)c2ccc(cc2)n3cccc3)c4ccccc4	100000	nM
P98170	CHEMBL1331789	O=C(CN1C=CC=C(NS(=O)(=O)Cc2ccccc2)C1=O)N[C@@H]3CCCc4ccccc34	100000	nM
P98170	CHEMBL1331789	O=C(CN1C=CC=C(NS(=O)(=O)Cc2ccccc2)C1=O)N[C@@H]3CCCc4ccccc34	100000	nM
P98170	CHEMBL1431126	Oc1nc2ccccc2n3c(nnc13)c4ccccc4	100000	nM
P98170	CHEMBL1431126	Oc1nc2ccccc2n3c(nnc13)c4ccccc4	100000	nM
P98170	CHEMBL1609827	Cc1cccc(c1)N2C(=S)Nc3c(oc4ccccc34)C2=O	100000	nM
P98170	CHEMBL1609827	Cc1cccc(c1)N2C(=S)Nc3c(oc4ccccc34)C2=O	100000	nM
P98170	CHEMBL1548551	COc1ccc(NC(=O)Cc2ccc(C)cc2)c(c1)[N+](=O)[O-]	100000	nM
P98170	CHEMBL1548551	COc1ccc(NC(=O)Cc2ccc(C)cc2)c(c1)[N+](=O)[O-]	100000	nM
P98170	CHEMBL1490595	C=CCn1c(SCC(=O)NCc2occc2)nnc1c3ccc4ccccc4n3	100000	nM
P98170	CHEMBL1490595	C=CCn1c(SCC(=O)NCc2occc2)nnc1c3ccc4ccccc4n3	100000	nM
P98170	CHEMBL1478146	Oc1ccccc1C2=NOC(C2)C(=O)NCc3cccs3	100000	nM
P98170	CHEMBL1478146	Oc1ccccc1C2=NOC(C2)C(=O)NCc3cccs3	100000	nM
P98170	CHEMBL1469901	COc1ccc(CCNC(=O)CSc2nncn2N)cc1OC	100000	nM
P98170	CHEMBL1469901	COc1ccc(CCNC(=O)CSc2nncn2N)cc1OC	100000	nM
P98170	CHEMBL1311994	O=C(CN1C(=O)CCC1=O)Nc2nc(cs2)c3ccccn3	100000	nM
P98170	CHEMBL1311994	O=C(CN1C(=O)CCC1=O)Nc2nc(cs2)c3ccccn3	100000	nM
P98170	CHEMBL1571808	OC(=O)CCN1CCc2ccccc12	100000	nM
P98170	CHEMBL1571808	OC(=O)CCN1CCc2ccccc12	100000	nM
P98170	CHEMBL1446947	CC(C)CC(NC(=O)c1occc1)C(=O)Nc2ccc3OCCOc3c2	100000	nM
P98170	CHEMBL1446947	CC(C)CC(NC(=O)c1occc1)C(=O)Nc2ccc3OCCOc3c2	100000	nM
P98170	CHEMBL1541641	CCN1CCN(CCCNC(=O)Cn2cc3CCCCc3n2)CC1	100000	nM
P98170	CHEMBL1541641	CCN1CCN(CCCNC(=O)Cn2cc3CCCCc3n2)CC1	100000	nM
P98170	CHEMBL1464570	CC(C)CC1(NC(C2C1C(=O)N(C(C)C)C2=O)c3ccccc3O)C(=O)O	100000	nM
P98170	CHEMBL1464570	CC(C)CC1(NC(C2C1C(=O)N(C(C)C)C2=O)c3ccccc3O)C(=O)O	100000	nM
P98170	CHEMBL1451046	CSc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	100000	nM
P98170	CHEMBL1451046	CSc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	100000	nM
P98170	CHEMBL1363046	COc1ccc(cc1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)Nc4cc(C)on4	100000	nM
P98170	CHEMBL1363046	COc1ccc(cc1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)Nc4cc(C)on4	100000	nM
P98170	CHEMBL1335299	OC(=O)c1ccc(cc1C(=O)O)C(=O)c2ccc(O)cc2	100000	nM
P98170	CHEMBL1335299	OC(=O)c1ccc(cc1C(=O)O)C(=O)c2ccc(O)cc2	100000	nM
P98170	CHEMBL1377968	CCC(=O)OC1N(Cc2ccccc2)C(=O)c3ccccc13	100000	nM
P98170	CHEMBL1377968	CCC(=O)OC1N(Cc2ccccc2)C(=O)c3ccccc13	100000	nM
P98170	CHEMBL1606244	O=C1C2C(C3c4ccccc4C2c5ccccc35)C(=O)N1c6ccncc6	100000	nM
P98170	CHEMBL1606244	O=C1C2C(C3c4ccccc4C2c5ccccc35)C(=O)N1c6ccncc6	100000	nM
P98170	CHEMBL1309968	CC(=O)c1cnc(s1)c2ccccc2	100000	nM
P98170	CHEMBL1309968	CC(=O)c1cnc(s1)c2ccccc2	100000	nM
P98170	CHEMBL1604303	O=C(\C=C\Nc1ccc(Nc2ccccc2)cc1)c3cccs3	100000	nM
P98170	CHEMBL1604303	O=C(\C=C\Nc1ccc(Nc2ccccc2)cc1)c3cccs3	100000	nM
P98170	CHEMBL1406081	COc1cc(OC)cc(c1)c2oc3ccc(C)cc3n2	100000	nM
P98170	CHEMBL1406081	COc1cc(OC)cc(c1)c2oc3ccc(C)cc3n2	100000	nM
P98170	CHEMBL1539539	O=C(NC(=S)NC1CC1)c2cccnc2	100000	nM
P98170	CHEMBL1539539	O=C(NC(=S)NC1CC1)c2cccnc2	100000	nM
P98170	CHEMBL1424436	[O-][N+](=O)c1ccccc1S(=O)(=O)N2CCCCC2	100000	nM
P98170	CHEMBL1424436	[O-][N+](=O)c1ccccc1S(=O)(=O)N2CCCCC2	100000	nM
P98170	CHEMBL1390982	CCOc1ccc(NC(=NCCCN2CCN(CC2)C3CCCCC3)S)cc1	100000	nM
P98170	CHEMBL1390982	CCOc1ccc(NC(=NCCCN2CCN(CC2)C3CCCCC3)S)cc1	100000	nM
P98170	CHEMBL1480577	Clc1ccc(cc1)C(=O)Nc2ccccc2c3nnn(CC(=O)N4CCCc5ccccc45)n3	100000	nM
P98170	CHEMBL1480577	Clc1ccc(cc1)C(=O)Nc2ccccc2c3nnn(CC(=O)N4CCCc5ccccc45)n3	100000	nM
P98170	CHEMBL1479246	CC1CCCC(NC(=O)C2=CN(C)c3ccc(cc3C2=O)S(=O)(=O)N4CCCC4)C1C	100000	nM
P98170	CHEMBL1479246	CC1CCCC(NC(=O)C2=CN(C)c3ccc(cc3C2=O)S(=O)(=O)N4CCCC4)C1C	100000	nM
P98170	CHEMBL1518929	Cc1cc(NC(=O)Cc2csc(n2)c3ccccc3)ccc1Br	100000	nM
P98170	CHEMBL1518929	Cc1cc(NC(=O)Cc2csc(n2)c3ccccc3)ccc1Br	100000	nM
P98170	CHEMBL1575762	CCN(Cc1ccccc1)C(=O)\C=C\c2ccccc2[N+](=O)[O-]	100000	nM
P98170	CHEMBL1575762	CCN(Cc1ccccc1)C(=O)\C=C\c2ccccc2[N+](=O)[O-]	100000	nM
P98170	CHEMBL1408513	CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)c2c(C)cc3ccccn23	100000	nM
P98170	CHEMBL1408513	CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)c2c(C)cc3ccccn23	100000	nM
P98170	CHEMBL1525775	Clc1cc(CSc2ccccc2)nc(n1)c3ccccc3	100000	nM
P98170	CHEMBL1525775	Clc1cc(CSc2ccccc2)nc(n1)c3ccccc3	100000	nM
P98170	CHEMBL1444181	CCOc1ccc2C=C(C(=O)c3ccccc3)C(=O)Oc2c1	100000	nM
P98170	CHEMBL1444181	CCOc1ccc2C=C(C(=O)c3ccccc3)C(=O)Oc2c1	100000	nM
P98170	CHEMBL1467510	CCN(CC)c1ccc(cc1NC(=O)CSc2cccc[n+]2[O-])S(=O)(=O)N3CCOCC3	100000	nM
P98170	CHEMBL1467510	CCN(CC)c1ccc(cc1NC(=O)CSc2cccc[n+]2[O-])S(=O)(=O)N3CCOCC3	100000	nM
P98170	CHEMBL1410093	COC(=O)c1ccc(cc1)C(=O)NC(=S)Nc2nc3CCCCc3s2	100000	nM
P98170	CHEMBL1410093	COC(=O)c1ccc(cc1)C(=O)NC(=S)Nc2nc3CCCCc3s2	100000	nM
P98170	CHEMBL1369932	[I-].CC[n+]1c(C)sc2c(C)cc(C)cc12	100000	nM
P98170	CHEMBL1369932	[I-].CC[n+]1c(C)sc2c(C)cc(C)cc12	100000	nM
P98170	CHEMBL1368488	CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1.OC=O	100000	nM
P98170	CHEMBL1488686	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NNc1ccccc1.OC=O	55000	nM
P98170	CHEMBL1486991	CN[C@@H](C)C(=O)NC1CCCN([C@@H](C)C(=O)NC2CCc3ccccc3C2)C1=O.OC=O	100000	nM
P98170	CHEMBL1486991	CN[C@@H](C)C(=O)NC1CCCN([C@@H](C)C(=O)NC2CCc3ccccc3C2)C1=O.OC=O	100000	nM
P98170	CHEMBL1489452	CN[C@@H](C)C(=O)NC1CCCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1=O.OC=O	100000	nM
P98170	CHEMBL1489452	CN[C@@H](C)C(=O)NC1CCCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1=O.OC=O	100000	nM
P98170	CHEMBL1490576	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2ccccc2.OC=O	100000	nM
P98170	CHEMBL1490576	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2ccccc2.OC=O	100000	nM
P98170	CHEMBL1493452	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)NNc1ccccc1.OC=O	77000	nM
P98170	CHEMBL1367323	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)Nc1cccc2ccccc12.OC=O	100000	nM
P98170	CHEMBL1491877	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCCc3ccccc23.OC=O	100000	nM
P98170	CHEMBL1491877	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCCc3ccccc23.OC=O	100000	nM
P98170	CHEMBL1329740	CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c2ccccc2)c3ccccc3.OC(=O)C(F)(F)F	76500	nM
P98170	CHEMBL1329740	CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c2ccccc2)c3ccccc3.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1329876	CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1.OC=O	105800	nM
P98170	CHEMBL1330408	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc2cccc3ccccc23.OC=O	100000	nM
P98170	CHEMBL1320067	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)Nc1cccc2ccccc12.OC=O	100000	nM
P98170	CHEMBL1320067	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)Nc1cccc2ccccc12.OC=O	157800	nM
P98170	CHEMBL1322239	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2ccncc2.OC=O	67000	nM
P98170	CHEMBL1405108	CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC(c2ccccc2)c3ccccc3)c4ccccc4.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1359629	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NNc1ccccc1.OC=O	54200	nM
P98170	CHEMBL1414192	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)NC(c2ccccc2)c3ccccc3.OC=O	100000	nM
P98170	CHEMBL1414192	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)NC(c2ccccc2)c3ccccc3.OC=O	100000	nM
P98170	CHEMBL1407893	CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)Nc2cccc3ccccc23)C1=O.OC=O	100000	nM
P98170	CHEMBL1407893	CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)Nc2cccc3ccccc23)C1=O.OC=O	59600	nM
P98170	CHEMBL1414832	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NNc1ccccc1.OC=O	100000	nM
P98170	CHEMBL1518555	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(Br)c2ccccc12.OC=O	100000	nM
P98170	CHEMBL1530865	CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC2CCCc3ccccc23.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1524111	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)NNc1ccccc1.OC=O	100000	nM
P98170	CHEMBL1527319	CN[C@@H](C)C(=O)NC1=CC=CN(CC(=O)NC2CCCc3ccccc23)C1=O.OC=O	182200	nM
P98170	CHEMBL1530279	CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccc(Cl)c(Cl)c2)C1=O.OC=O	62300	nM
P98170	CHEMBL1530279	CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccc(Cl)c(Cl)c2)C1=O.OC=O	100000	nM
P98170	CHEMBL1527361	CN[C@@H](C)C(=O)N[C@H]1CCCCN([C@H](C)C(=O)NNc2ccccc2)C1=O.OC=O	158100	nM
P98170	CHEMBL1531252	CN[C@@H](C)C(=O)NC1=CC=CN(CC(=O)NNc2ccccc2)C1=O.OC=O	65300	nM
P98170	CHEMBL1511091	Cl.Clc1cccc(c1)N2CCN(CCCCN3C(=O)CC(=C(c4ccccc4)c5ccccc5)C3=O)CC2	100000	nM
P98170	CHEMBL1511091	Cl.Clc1cccc(c1)N2CCN(CCCCN3C(=O)CC(=C(c4ccccc4)c5ccccc5)C3=O)CC2	100000	nM
P98170	CHEMBL1556837	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2cc3ccccc3cc12.OC=O	100000	nM
P98170	CHEMBL1377844	CN[C@@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC(c3ccccc3)c4ccccc4.OC=O	100000	nM
P98170	CHEMBL1377844	CN[C@@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC(c3ccccc3)c4ccccc4.OC=O	100000	nM
P98170	CHEMBL1570446	CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NC2CCCc3ccccc23)C1=O.OC=O	100000	nM
P98170	CHEMBL1568407	CN[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1.OC=O	100000	nM
P98170	CHEMBL1569219	CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12.OC=O	100000	nM
P98170	CHEMBL1567081	CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc2cccc3ccccc23.OC=O	144600	nM
P98170	CHEMBL1567894	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)Nc1cccc2ccccc12.OC=O	153100	nM
P98170	CHEMBL1570483	CN[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NC2CCCc3ccccc23.OC=O	100000	nM
P98170	CHEMBL1570483	CN[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NC2CCCc3ccccc23.OC=O	100000	nM
P98170	CHEMBL1566168	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc2cccc3ccccc23.OC=O	100000	nM
P98170	CHEMBL1568065	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)c1oc(c2ccccc2)c(n1)c3ccccc3.OC=O	73800	nM
P98170	CHEMBL1573360	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2ccccn2.OC=O	67100	nM
P98170	CHEMBL1573360	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2ccccn2.OC=O	100000	nM
P98170	CHEMBL1566064	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc2cccc3ccccc23.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1566064	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc2cccc3ccccc23.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1569041	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2csc(n2)c3cccs3.OC=O.OC=O	100000	nM
P98170	CHEMBL1569041	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2csc(n2)c3cccs3.OC=O.OC=O	100000	nM
P98170	CHEMBL1568642	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)OCc2ccccc2.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1568642	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)OCc2ccccc2.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1569321	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC2CCCc3ccccc23.OC=O	153900	nM
P98170	CHEMBL1567851	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2ccncc2.OC=O	100000	nM
P98170	CHEMBL1567851	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc2ccncc2.OC=O	100000	nM
P98170	CHEMBL1335574	CN[C@@H](C)C(=O)NC1CCCN(CC(=O)NC2CCc3ccccc3C2)C1=O.OC=O	100000	nM
P98170	CHEMBL1335574	CN[C@@H](C)C(=O)NC1CCCN(CC(=O)NC2CCc3ccccc3C2)C1=O.OC=O	100000	nM
P98170	CHEMBL1565499	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)Nc1cccc2ccccc12.OC=O	100000	nM
P98170	CHEMBL1565499	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)Nc1cccc2ccccc12.OC=O	91500	nM
P98170	CHEMBL1334805	CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@@H]1C(=O)NC(c2ccccc2)c3ccccc3.OC=O	100000	nM
P98170	CHEMBL1334805	CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@@H]1C(=O)NC(c2ccccc2)c3ccccc3.OC=O	100000	nM
P98170	CHEMBL1337371	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12.OC=O	100000	nM
P98170	CHEMBL1448688	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCc1cccc2ccccc12.OC=O	87500	nM
P98170	CHEMBL1442034	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ncccc3c2.OC=O	94900	nM
P98170	CHEMBL1627147	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(c2ccccc12)[N+](=O)[O-].OC=O	100000	nM
P98170	CHEMBL1605799	CN[C@@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NNc3ccccc3.OC=O	100000	nM
P98170	CHEMBL1605799	CN[C@@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NNc3ccccc3.OC=O	100000	nM
P98170	CHEMBL1609740	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1.OC=O	132500	nM
P98170	CHEMBL1699520	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12.OC(=O)C(F)(F)F	137175	nM
P98170	CHEMBL1577539	COc1ccc2c(C)cc(SCC(=O)Nc3ccc(Cl)cn3)nc2c1	100000	nM
P98170	CHEMBL1577539	COc1ccc2c(C)cc(SCC(=O)Nc3ccc(Cl)cn3)nc2c1	100000	nM
P98170	CHEMBL1605775	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c2ccccc2)c3ccccc3.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1605775	CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c2ccccc2)c3ccccc3.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1604899	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1.OC=O	167900	nM
P98170	CHEMBL1606093	CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1c2oc(c3ccccc3)c(n2)c4ccccc4.OC=O	59000	nM
P98170	CHEMBL1605665	CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)NNc1ccccc1.OC=O	151000	nM
P98170	CHEMBL1574672	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)Nc1cccc2ccccc12.OC=O	100000	nM
P98170	CHEMBL1490974	CC(C)c1ccc(NC(=O)C(N2CCCC(C)C2)c3ccc4OCOc4c3)cc1	100000	nM
P98170	CHEMBL1490974	CC(C)c1ccc(NC(=O)C(N2CCCC(C)C2)c3ccc4OCOc4c3)cc1	100000	nM
P98170	CHEMBL1520098	CCOC(=O)N1CCC(=NNC(=O)c2ccccc2F)CC1	100000	nM
P98170	CHEMBL1520098	CCOC(=O)N1CCC(=NNC(=O)c2ccccc2F)CC1	100000	nM
P98170	CHEMBL1311292	CC(C)(C)NC(=O)C(N(C(=O)Cn1nnc(n1)c2ccc(F)cc2)c3ccccc3F)c4ccncc4	100000	nM
P98170	CHEMBL1311292	CC(C)(C)NC(=O)C(N(C(=O)Cn1nnc(n1)c2ccc(F)cc2)c3ccccc3F)c4ccncc4	100000	nM
P98170	CHEMBL1470693	COc1ccc(cc1OC)C(=O)N(CN2CCCC2=O)c3ccccc3OC	100000	nM
P98170	CHEMBL1470693	COc1ccc(cc1OC)C(=O)N(CN2CCCC2=O)c3ccccc3OC	100000	nM
P98170	CHEMBL1330667	COc1ccc(c(C)c1C)S(=O)(=O)N2CCCC2	100000	nM
P98170	CHEMBL1330667	COc1ccc(c(C)c1C)S(=O)(=O)N2CCCC2	100000	nM
P98170	CHEMBL1507104	Fc1ccc(cc1)C2=NOC(C2)C(=O)N3CCc4ccccc4C3	100000	nM
P98170	CHEMBL1507104	Fc1ccc(cc1)C2=NOC(C2)C(=O)N3CCc4ccccc4C3	100000	nM
P98170	CHEMBL1417018	OC(=O)[C@H](N1Cc2ccccc2C1=O)c3ccccc3	65557	nM
P98170	CHEMBL1417018	OC(=O)[C@H](N1Cc2ccccc2C1=O)c3ccccc3	65557	nM
P98170	CHEMBL1417018	OC(=O)[C@H](N1Cc2ccccc2C1=O)c3ccccc3	200000	nM
P98170	CHEMBL1411448	CN[C@@H](C)C(=O)N[C@H]1CCCCN([C@H](C)C(=O)Nc2cccc3ccccc23)C1=O	100000	nM
P98170	CHEMBL1237072	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O	100000	nM
P98170	CHEMBL1237072	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O	100000	nM
P98170	CHEMBL1544657	Fc1ccc(cc1)n2c(S)nnc2CNC(=O)c3occc3	100000	nM
P98170	CHEMBL1544657	Fc1ccc(cc1)n2c(S)nnc2CNC(=O)c3occc3	100000	nM
P98170	CHEMBL1359529	Clc1ccc(c(Cl)c1)c2oc(SCC=C)nn2	100000	nM
P98170	CHEMBL1359529	Clc1ccc(c(Cl)c1)c2oc(SCC=C)nn2	100000	nM
P98170	CHEMBL1384594	COc1ccc(cc1)c2nnc(NC(=O)c3cc(C)on3)s2	100000	nM
P98170	CHEMBL1384594	COc1ccc(cc1)c2nnc(NC(=O)c3cc(C)on3)s2	100000	nM
P98170	CHEMBL1320265	COc1cccc(c1)N2C(CC(=C)C)C34OC(C=C3)C(C4C2=O)C(=O)O	100000	nM
P98170	CHEMBL1320265	COc1cccc(c1)N2C(CC(=C)C)C34OC(C=C3)C(C4C2=O)C(=O)O	100000	nM
P98170	CHEMBL1578256	CC1CN(CC(C)O1)S(=O)(=O)c2cccc(c2)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4ncccn4	100000	nM
P98170	CHEMBL1578256	CC1CN(CC(C)O1)S(=O)(=O)c2cccc(c2)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4ncccn4	100000	nM
P98170	CHEMBL1581491	COc1ccc(cc1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc3c[nH]c4ccccc34	100000	nM
P98170	CHEMBL1581491	COc1ccc(cc1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc3c[nH]c4ccccc34	100000	nM
P98170	CHEMBL1540557	CCC1(C)O\C(=C/C=C2C(=O)NC(=O)NC2=O)\C=C(O1)c3ccccc3	100000	nM
P98170	CHEMBL1540557	CCC1(C)O\C(=C/C=C2C(=O)NC(=O)NC2=O)\C=C(O1)c3ccccc3	100000	nM
P98170	CHEMBL1438515	CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc3ccc(Cl)c(Cl)c3	100000	nM
P98170	CHEMBL1438515	CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc3ccc(Cl)c(Cl)c3	100000	nM
P98170	CHEMBL1318981	COc1ccc(cc1)c2oc(C)c(Cn3c(SCc4ccccc4F)nc5ccncc35)n2	100000	nM
P98170	CHEMBL1318981	COc1ccc(cc1)c2oc(C)c(Cn3c(SCc4ccccc4F)nc5ccncc35)n2	100000	nM
P98170	CHEMBL1584639	Cc1ccc2cc3c(NC(=O)c4cccnc4)nn(C)c3nc2c1	100000	nM
P98170	CHEMBL1584639	Cc1ccc2cc3c(NC(=O)c4cccnc4)nn(C)c3nc2c1	100000	nM
P98170	CHEMBL1306995	CCN1C(=O)C=C(OCC(=O)NCCC(C)C)c2ccccc12	100000	nM
P98170	CHEMBL1306995	CCN1C(=O)C=C(OCC(=O)NCCC(C)C)c2ccccc12	100000	nM
P98170	CHEMBL1414517	OC(=O)CCCNC(=O)c1cncc(Br)c1	100000	nM
P98170	CHEMBL1414517	OC(=O)CCCNC(=O)c1cncc(Br)c1	100000	nM
P98170	CHEMBL42210	OC(=O)[C@H](Cc1ccccc1)N2Cc3ccccc3C2=O	131090	nM
P98170	CHEMBL42210	OC(=O)[C@H](Cc1ccccc1)N2Cc3ccccc3C2=O	131090	nM
P98170	CHEMBL42210	OC(=O)[C@H](Cc1ccccc1)N2Cc3ccccc3C2=O	200000	nM
P98170	CHEMBL1334508	COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)C)c1	100000	nM
P98170	CHEMBL1334508	COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)C)c1	100000	nM
P98170	CHEMBL1341814	Cc1cc(c2nn3c(nnc3s2)c4ccccc4)c5ccccc5n1	100000	nM
P98170	CHEMBL1341814	Cc1cc(c2nn3c(nnc3s2)c4ccccc4)c5ccccc5n1	100000	nM
P98170	CHEMBL1538798	O=C1N(CSc2nnc(c3cccs3)n2Cc4ccccc4)N=Nc5ccccc15	100000	nM
P98170	CHEMBL1538798	O=C1N(CSc2nnc(c3cccs3)n2Cc4ccccc4)N=Nc5ccccc15	100000	nM
P98170	CHEMBL1497228	Cc1ccc2OC(CC(=O)O)C(=O)Nc2c1	100000	nM
P98170	CHEMBL1497228	Cc1ccc2OC(CC(=O)O)C(=O)Nc2c1	100000	nM
P98170	CHEMBL1365213	CCCNC(=O)c1cc(SC)ccc1Cl	100000	nM
P98170	CHEMBL1365213	CCCNC(=O)c1cc(SC)ccc1Cl	100000	nM
P98170	CHEMBL1371788	C(N1CCCCC1)c2cc([nH]n2)C3CCCCC3	100000	nM
P98170	CHEMBL1371788	C(N1CCCCC1)c2cc([nH]n2)C3CCCCC3	100000	nM
P98170	CHEMBL1301289	COCCn1nnnc1C(C(C)C)N(Cc2ccccc2)Cc3cc4cc(OC)ccc4nc3O	100000	nM
P98170	CHEMBL1301289	COCCn1nnnc1C(C(C)C)N(Cc2ccccc2)Cc3cc4cc(OC)ccc4nc3O	100000	nM
P98170	CHEMBL1361737	O=C(NCc1cccs1)c2noc3CCCCCc23	100000	nM
P98170	CHEMBL1361737	O=C(NCc1cccs1)c2noc3CCCCCc23	100000	nM
P98170	CHEMBL1352639	CCCN1Cc2cccc(C(=O)Nc3ccc4OCOc4c3)c2C1=O	100000	nM
P98170	CHEMBL1352639	CCCN1Cc2cccc(C(=O)Nc3ccc4OCOc4c3)c2C1=O	100000	nM
P98170	CHEMBL1385193	Cc1onc(NC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F)c1	100000	nM
P98170	CHEMBL1385193	Cc1onc(NC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F)c1	100000	nM
P98170	CHEMBL1411491	CC1(CC(=O)N=C2C=CC=CN12)C(=O)N(C(C(=O)NC3CCCC3)c4ccccn4)c5ccccc5	100000	nM
P98170	CHEMBL1411491	CC1(CC(=O)N=C2C=CC=CN12)C(=O)N(C(C(=O)NC3CCCC3)c4ccccn4)c5ccccc5	100000	nM
P98170	CHEMBL1449686	CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1	100000	nM
P98170	CHEMBL1449686	CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1	100000	nM
P98170	CHEMBL1351918	COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl	100000	nM
P98170	CHEMBL1351918	COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl	100000	nM
P98170	CHEMBL1568123	OC(=O)C(N1Cc2ccccc2C1=O)c3ccc(F)cc3	200000	nM
P98170	CHEMBL1568123	OC(=O)C(N1Cc2ccccc2C1=O)c3ccc(F)cc3	200000	nM
P98170	CHEMBL1408337	Clc1ccc(NC(=O)N(Cc2occc2)Cc3cccnc3)cc1	100000	nM
P98170	CHEMBL1408337	Clc1ccc(NC(=O)N(Cc2occc2)Cc3cccnc3)cc1	100000	nM
P98170	CHEMBL1567953	O=C1N=C(NCc2occc2)Sc3ncccc13	100000	nM
P98170	CHEMBL1567953	O=C1N=C(NCc2occc2)Sc3ncccc13	100000	nM
P98170	CHEMBL1580166	Cc1ccc(NC(=O)CN2C(=O)S\C(=C/C(=O)Nc3ccc(Cl)cc3)\C2=O)cc1	100000	nM
P98170	CHEMBL1580166	Cc1ccc(NC(=O)CN2C(=O)S\C(=C/C(=O)Nc3ccc(Cl)cc3)\C2=O)cc1	100000	nM
P98170	CHEMBL1408827	Cc1cc(O)n2nc(N)c(N=Nc3ccccc3)c2n1	100000	nM
P98170	CHEMBL1408827	Cc1cc(O)n2nc(N)c(N=Nc3ccccc3)c2n1	100000	nM
P98170	CHEMBL1343022	CC1=CC(=O)Oc2cc(C)c(NC(=O)CCC(=O)O)cc12	100000	nM
P98170	CHEMBL1343022	CC1=CC(=O)Oc2cc(C)c(NC(=O)CCC(=O)O)cc12	100000	nM
P98170	CHEMBL1392601	CCc1ccc(NC(=O)N2CCN(CC2)c3ccc(F)cc3)cc1	100000	nM
P98170	CHEMBL1392601	CCc1ccc(NC(=O)N2CCN(CC2)c3ccc(F)cc3)cc1	100000	nM
P98170	CHEMBL1324079	COc1ccccc1c2oc(SCC(=O)NCc3c(C)c(Cl)cc(C(C)C)c3O)nn2	100000	nM
P98170	CHEMBL1324079	COc1ccccc1c2oc(SCC(=O)NCc3c(C)c(Cl)cc(C(C)C)c3O)nn2	100000	nM
P98170	CHEMBL1460075	CC(C)C(N1CCC(Cc2ccccc2)CC1)c3nnnn3C(C)(C)C	100000	nM
P98170	CHEMBL1460075	CC(C)C(N1CCC(Cc2ccccc2)CC1)c3nnnn3C(C)(C)C	100000	nM
P98170	CHEMBL1423243	CCSc1nnc(NC(=O)c2cc([nH]n2)c3ccc(C)c(C)c3O)s1	100000	nM
P98170	CHEMBL1423243	CCSc1nnc(NC(=O)c2cc([nH]n2)c3ccc(C)c(C)c3O)s1	100000	nM
P98170	CHEMBL1496395	CC1=CC(=O)Oc2cc(OCc3ccc(cc3)C(=O)N4CCN(CC4)c5ccc(cc5)[N+](=O)[O-])ccc12	100000	nM
P98170	CHEMBL1496395	CC1=CC(=O)Oc2cc(OCc3ccc(cc3)C(=O)N4CCN(CC4)c5ccc(cc5)[N+](=O)[O-])ccc12	100000	nM
P98170	CHEMBL1336093	[O-][N+](=O)CCc1ccccc1C(=O)Nc2ccc(F)cc2	100000	nM
P98170	CHEMBL1336093	[O-][N+](=O)CCc1ccccc1C(=O)Nc2ccc(F)cc2	100000	nM
P98170	CHEMBL1531090	COc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1	100000	nM
P98170	CHEMBL1531090	COc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1	100000	nM
P98170	CHEMBL1517287	CC(C)C(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(C)C	100000	nM
P98170	CHEMBL1517287	CC(C)C(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(C)C	100000	nM
P98170	CHEMBL1498920	CC(=O)NCCc1csc(n1)c2ccccc2	100000	nM
P98170	CHEMBL1498920	CC(=O)NCCc1csc(n1)c2ccccc2	100000	nM
P98170	CHEMBL1377249	CCCC1=NC2=C(C(=O)N1Cc3occc3)C(=O)c4ccc(OC)cc4O2	100000	nM
P98170	CHEMBL1377249	CCCC1=NC2=C(C(=O)N1Cc3occc3)C(=O)c4ccc(OC)cc4O2	100000	nM
P98170	CHEMBL1530935	Clc1ccc(cc1C(=O)Nc2ccccc2)S(=O)(=O)N3CCSCC3	100000	nM
P98170	CHEMBL1530935	Clc1ccc(cc1C(=O)Nc2ccccc2)S(=O)(=O)N3CCSCC3	100000	nM
P98170	CHEMBL1449743	Cc1ccc(cc1)c2nc(NC(=O)CSc3ccc4ccccc4n3)ns2	100000	nM
P98170	CHEMBL1449743	Cc1ccc(cc1)c2nc(NC(=O)CSc3ccc4ccccc4n3)ns2	100000	nM
P98170	CHEMBL1498397	CN(C)S(=O)(=O)c1ccc(C)c(NC(=NC23CC4CC(CC(C4)C2)C3)S)c1	100000	nM
P98170	CHEMBL1498397	CN(C)S(=O)(=O)c1ccc(C)c(NC(=NC23CC4CC(CC(C4)C2)C3)S)c1	100000	nM
P98170	CHEMBL1312742	CC1(C)CC(=O)N(CC(=O)O)c2ccccc2S1(=O)=O	100000	nM
P98170	CHEMBL1312742	CC1(C)CC(=O)N(CC(=O)O)c2ccccc2S1(=O)=O	100000	nM
P98170	CHEMBL1388653	CCOc1ccccc1N2CCN(CC2)C(=O)c3cccc(c3)c4ccc(O)cc4	100000	nM
P98170	CHEMBL1388653	CCOc1ccccc1N2CCN(CC2)C(=O)c3cccc(c3)c4ccc(O)cc4	100000	nM
P98170	CHEMBL1563112	CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N	100000	nM
P98170	CHEMBL1563112	CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N	100000	nM
P98170	CHEMBL1439508	CCOCCCNC(=O)C1=CN(CC(C)C)C(=O)c2cc(OC)c(OC)cc12	100000	nM
P98170	CHEMBL1439508	CCOCCCNC(=O)C1=CN(CC(C)C)C(=O)c2cc(OC)c(OC)cc12	100000	nM
P98170	CHEMBL1578456	OC(=O)c1cccc(c1)N2C(=O)C3CC=C(Cl)CC3C2=O	100000	nM
P98170	CHEMBL1578456	OC(=O)c1cccc(c1)N2C(=O)C3CC=C(Cl)CC3C2=O	100000	nM
P98170	CHEMBL1378532	COc1ccc(NC(=O)N2CCC(CC2)c3onc(n3)c4cccs4)cc1	100000	nM
P98170	CHEMBL1378532	COc1ccc(NC(=O)N2CCC(CC2)c3onc(n3)c4cccs4)cc1	100000	nM
P98170	CHEMBL1369281	CC(C)CN(CC(C)C)S(=O)(=O)c1ccc2N(CCCc2c1)C(=O)C	100000	nM
P98170	CHEMBL1369281	CC(C)CN(CC(C)C)S(=O)(=O)c1ccc2N(CCCc2c1)C(=O)C	100000	nM
P98170	CHEMBL1361189	CCN1C(=O)c2ccccc2[S+]([O-])c3ccc(cc13)C(=O)N4CCCCCC4	100000	nM
P98170	CHEMBL1361189	CCN1C(=O)c2ccccc2[S+]([O-])c3ccc(cc13)C(=O)N4CCCCCC4	100000	nM
P98170	CHEMBL1530135	COc1ccc(cc1)N2N=C(C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccccc6C2=O	100000	nM
P98170	CHEMBL1530135	COc1ccc(cc1)N2N=C(C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c6ccccc6C2=O	100000	nM
P98170	CHEMBL1329680	COc1ccc(cc1)S(=O)(=O)CCC(=O)NC2CCCCC2	100000	nM
P98170	CHEMBL1329680	COc1ccc(cc1)S(=O)(=O)CCC(=O)NC2CCCCC2	100000	nM
P98170	CHEMBL1366700	Fc1ccccc1N2CCN(CC2)C(=O)CCN3C(=O)C4C5CC(C=C5)C4C3=O	100000	nM
P98170	CHEMBL1366700	Fc1ccccc1N2CCN(CC2)C(=O)CCN3C(=O)C4C5CC(C=C5)C4C3=O	100000	nM
P98170	CHEMBL1545532	COc1ccc(CCC(=O)OCC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N(C)C)cc1	100000	nM
P98170	CHEMBL1545532	COc1ccc(CCC(=O)OCC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N(C)C)cc1	100000	nM
P98170	CHEMBL1550655	CCN(CC)CCNC(=O)\C(=C/c1cccn1C)\NC(=O)c2cccs2	100000	nM
P98170	CHEMBL1550655	CCN(CC)CCNC(=O)\C(=C/c1cccn1C)\NC(=O)c2cccs2	100000	nM
P98170	CHEMBL1421928	COc1ccc(cc1)C(=O)Nc2nc(c(NC(=O)C)s2)c3cccs3	100000	nM
P98170	CHEMBL1421928	COc1ccc(cc1)C(=O)Nc2nc(c(NC(=O)C)s2)c3cccs3	100000	nM
P98170	CHEMBL1401932	COc1cc(cc(NC(=O)c2cccs2)c1OC)C(=O)O	100000	nM
P98170	CHEMBL1401932	COc1cc(cc(NC(=O)c2cccs2)c1OC)C(=O)O	100000	nM
P98170	CHEMBL1499119	COc1ccc(CC(=O)Oc2cc(C)nc(O)c2[N+](=O)[O-])cc1	100000	nM
P98170	CHEMBL1499119	COc1ccc(CC(=O)Oc2cc(C)nc(O)c2[N+](=O)[O-])cc1	100000	nM
P98170	CHEMBL1307736	Cc1sc2nc(CN(C3CCCCC3)C(=O)NC4CCCCC4)nc(O)c2c1C	100000	nM
P98170	CHEMBL1307736	Cc1sc2nc(CN(C3CCCCC3)C(=O)NC4CCCCC4)nc(O)c2c1C	100000	nM
P98170	CHEMBL1578242	Cc1ccc(\C=C\2/SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	100000	nM
P98170	CHEMBL1578242	Cc1ccc(\C=C\2/SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	100000	nM
P98170	CHEMBL1350350	COc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3occc3)\C2=O)cc1	100000	nM
P98170	CHEMBL1497083	Cc1cc(C)nc(n1)N2CCCC(C2)C(=O)Nc3cc(F)ccc3C	100000	nM
P98170	CHEMBL1497083	Cc1cc(C)nc(n1)N2CCCC(C2)C(=O)Nc3cc(F)ccc3C	100000	nM
P98170	CHEMBL1518145	CCCS(=O)(=O)N1CCN(CC1)C(=O)c2ccc(cc2)c3ccccc3	100000	nM
P98170	CHEMBL1518145	CCCS(=O)(=O)N1CCN(CC1)C(=O)c2ccc(cc2)c3ccccc3	100000	nM
P98170	CHEMBL1528339	CN[C@@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N.CC3CCCc4ccccc34.OC=O	100000	nM
P98170	CHEMBL1528339	CN[C@@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N.CC3CCCc4ccccc34.OC=O	100000	nM
P98170	CHEMBL1611947	CC(N1Cc2ccccc2C1=O)C(=O)O	200000	nM
P98170	CHEMBL1611947	CC(N1Cc2ccccc2C1=O)C(=O)O	200000	nM
P98170	CHEMBL1530014	OCCSCC(=O)NNC(=O)COc1cccc2ccccc12	100000	nM
P98170	CHEMBL1530014	OCCSCC(=O)NNC(=O)COc1cccc2ccccc12	100000	nM
P98170	CHEMBL1325212	O=C(COC(=O)C(Cc1ccccc1)NC(=O)c2occc2)NC3CC3	100000	nM
P98170	CHEMBL1325212	O=C(COC(=O)C(Cc1ccccc1)NC(=O)c2occc2)NC3CC3	100000	nM
P98170	CHEMBL1478939	COc1ccc(Cl)cc1NC(=O)CNc2ccccc2F	100000	nM
P98170	CHEMBL1478939	COc1ccc(Cl)cc1NC(=O)CNc2ccccc2F	100000	nM
P98170	CHEMBL1378118	Clc1ccc(cc1)S(=O)(=O)c2snnc2c3ccccc3	100000	nM
P98170	CHEMBL1378118	Clc1ccc(cc1)S(=O)(=O)c2snnc2c3ccccc3	100000	nM
P98170	CHEMBL1535104	COC(=O)c1ccc(\C=C\C(=O)c2ccc(OC)cc2)cc1	100000	nM
P98170	CHEMBL1535104	COC(=O)c1ccc(\C=C\C(=O)c2ccc(OC)cc2)cc1	100000	nM
P98170	CHEMBL1367280	CN1C(=O)CSc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc12	100000	nM
P98170	CHEMBL1367280	CN1C(=O)CSc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc12	100000	nM
P98170	CHEMBL1304835	CCNC(=O)CSc1nnc(c2cccc(c2)S(=O)(=O)N(CC)CC)n1CCc3ccccc3	100000	nM
P98170	CHEMBL1304835	CCNC(=O)CSc1nnc(c2cccc(c2)S(=O)(=O)N(CC)CC)n1CCc3ccccc3	100000	nM
P98170	CHEMBL1577298	COc1ccc(cc1)C(=N)NOC(=O)Cc2ccc(C)cc2	100000	nM
P98170	CHEMBL1577298	COc1ccc(cc1)C(=N)NOC(=O)Cc2ccc(C)cc2	100000	nM
P98170	CHEMBL1605254	COc1ccc(\C=C(/NC(=O)c2ccccc2Cl)\C(=O)NCCCC(=O)O)cc1	100000	nM
P98170	CHEMBL1605254	COc1ccc(\C=C(/NC(=O)c2ccccc2Cl)\C(=O)NCCCC(=O)O)cc1	100000	nM
P98170	CHEMBL1449678	Cc1cc(Cl)ccc1OCC(=O)Nc2ccccc2CO	100000	nM
P98170	CHEMBL1449678	Cc1cc(Cl)ccc1OCC(=O)Nc2ccccc2CO	100000	nM
P98170	CHEMBL1375619	CC1CCC2(CC1)OC(=O)C(=C2C(=O)NCc3ccccn3)C	100000	nM
P98170	CHEMBL1375619	CC1CCC2(CC1)OC(=O)C(=C2C(=O)NCc3ccccn3)C	100000	nM
P98170	CHEMBL1539851	CN(C)C(=O)c1ccc(C)c(c1)S(=O)(=O)Nc2ccc(C)c(C)c2	100000	nM
P98170	CHEMBL1539851	CN(C)C(=O)c1ccc(C)c(c1)S(=O)(=O)Nc2ccc(C)c(C)c2	100000	nM
P98170	CHEMBL1337499	COc1ccc(CC2(CO)CCN(Cc3cnn(C)c3)CC2)cc1	100000	nM
P98170	CHEMBL1337499	COc1ccc(CC2(CO)CCN(Cc3cnn(C)c3)CC2)cc1	100000	nM
P98170	CHEMBL1417348	OC(=O)C1C2CC(C=C2)C1C(=O)Nc3ccc(cc3)C(=O)N4CCCCC4	100000	nM
P98170	CHEMBL1417348	OC(=O)C1C2CC(C=C2)C1C(=O)Nc3ccc(cc3)C(=O)N4CCCCC4	100000	nM
P98170	CHEMBL1465767	CN1CCN(CC1)C(=O)Cc2nc3ccccc3[nH]2	100000	nM
P98170	CHEMBL1465767	CN1CCN(CC1)C(=O)Cc2nc3ccccc3[nH]2	100000	nM
P98170	CHEMBL1330661	CCOC(=O)CCC1=C(C)c2ccc(O)cc2OC1=O	100000	nM
P98170	CHEMBL1330661	CCOC(=O)CCC1=C(C)c2ccc(O)cc2OC1=O	100000	nM
P98170	CHEMBL1534576	COc1ccccc1CNC(=O)COC(=O)Cc2ccsc2	100000	nM
P98170	CHEMBL1534576	COc1ccccc1CNC(=O)COC(=O)Cc2ccsc2	100000	nM
P98170	CHEMBL1502293	Cc1ccc(cc1)S(=O)(=O)C2=CN(CC(=O)Nc3ccccc3)c4ccc(F)cc4C2=O	100000	nM
P98170	CHEMBL1502293	Cc1ccc(cc1)S(=O)(=O)C2=CN(CC(=O)Nc3ccccc3)c4ccc(F)cc4C2=O	100000	nM
P98170	CHEMBL1508669	Cc1cc(CNC(=O)COc2ccccc2)c3ccccc3n1	100000	nM
P98170	CHEMBL1508669	Cc1cc(CNC(=O)COc2ccccc2)c3ccccc3n1	100000	nM
P98170	CHEMBL1479899	CCc1c(C)sc(NC(=O)OC)c1C(=O)N2CCCCC2	54647	nM
P98170	CHEMBL1426539	CN(C)CCNc1oc(COc2cccc(C)c2)nc1C#N	100000	nM
P98170	CHEMBL1426539	CN(C)CCNc1oc(COc2cccc(C)c2)nc1C#N	100000	nM
P98170	CHEMBL1441877	COc1ccccc1C2SCCN2S(=O)(=O)c3cccc(c3)C(F)(F)F	100000	nM
P98170	CHEMBL1441877	COc1ccccc1C2SCCN2S(=O)(=O)c3cccc(c3)C(F)(F)F	100000	nM
P98170	CHEMBL1488229	CCOc1ccc(cc1)c2noc(CCC(=O)O)n2	100000	nM
P98170	CHEMBL1488229	CCOc1ccc(cc1)c2noc(CCC(=O)O)n2	100000	nM
P98170	CHEMBL1582385	COC(=O)C1=C(C(=O)OC)C(=C(C(=O)OC)C2(C)C=CC=CN12)C(=O)OC	100000	nM
P98170	CHEMBL1582385	COC(=O)C1=C(C(=O)OC)C(=C(C(=O)OC)C2(C)C=CC=CN12)C(=O)OC	100000	nM
P98170	CHEMBL1541144	Cc1cc(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])n(n1)c3ccccc3	100000	nM
P98170	CHEMBL1541144	Cc1cc(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])n(n1)c3ccccc3	100000	nM
P98170	CHEMBL1334601	Clc1cccc(c1)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)NCC4CCCO4	100000	nM
P98170	CHEMBL1334601	Clc1cccc(c1)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)NCC4CCCO4	100000	nM
P98170	CHEMBL1598001	COc1cc2CCN3C(=O)N=C(NC4CCCC4)C=C3c2cc1OC	100000	nM
P98170	CHEMBL1598001	COc1cc2CCN3C(=O)N=C(NC4CCCC4)C=C3c2cc1OC	100000	nM
P98170	CHEMBL1492030	CN[C@@H](C)C(=O)N[C@H]1CCCCN(Cc2oc(c3ccccc3)c(n2)c4ccccc4)C1=O.OC=O	79400	nM
P98170	CHEMBL1490324	CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccccc2)C1=O.OC=O	97700	nM
P98170	CHEMBL1490324	CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccccc2)C1=O.OC=O	114000	nM
P98170	CHEMBL1495151	CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)Nc2c(C)ccc3ncccc23.OC=O.OC=O	143600	nM
P98170	CHEMBL1374431	CC(C)[C@H](NC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1)C(C)C)C(=O)NNc2ccccc2.OC=O	100000	nM
P98170	CHEMBL1374431	CC(C)[C@H](NC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1)C(C)C)C(=O)NNc2ccccc2.OC=O	100000	nM
P98170	CHEMBL1412107	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ncccc12.OC=O.OC=O	100000	nM
P98170	CHEMBL1412107	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ncccc12.OC=O.OC=O	100000	nM
P98170	CHEMBL1412122	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NNc1ccccc1.OC=O	182000	nM
P98170	CHEMBL1411233	CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1cccc(F)c1.OC=O	100000	nM
P98170	CHEMBL1327250	CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12.OC=O	102700	nM
P98170	CHEMBL1381393	Cl.Cc1cc(c(C)s1)S(=O)(=O)N2CCN(Cc3ccccc3)CC2	100000	nM
P98170	CHEMBL1381393	Cl.Cc1cc(c(C)s1)S(=O)(=O)N2CCN(Cc3ccccc3)CC2	100000	nM
P98170	CHEMBL1442157	CN[C@@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)Nc3cccc4ccccc34.OC=O	100000	nM
P98170	CHEMBL1442157	CN[C@@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)Nc3cccc4ccccc34.OC=O	100000	nM
P98170	CHEMBL1533044	CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)OCc2ccccc2.OC(=O)C(F)(F)F	54600	nM
P98170	CHEMBL1533044	CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)OCc2ccccc2.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1369280	CNC(C)C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC(c3ccccc3)c4ccccc4.OC(=O)C(F)(F)F	100000	nM
P98170	CHEMBL1369440	CN[C@@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NNc3cccc(F)c3.OC=O	100000	nM
P98170	CHEMBL1369440	CN[C@@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NNc3cccc(F)c3.OC=O	100000	nM
P98170	CHEMBL1450359	CN[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)Nc1cccc2ncccc12.OC=O.OC=O	100000	nM
P98170	CHEMBL1987892	Cc1ccc(cc1)N(CC(=O)N\N=C\c2cccc(Br)c2)S(=O)(=O)C	100000	nM
P98170	CHEMBL1987892	Cc1ccc(cc1)N(CC(=O)N\N=C\c2cccc(Br)c2)S(=O)(=O)C	100000	nM
P98170	CHEMBL1987232	COc1ccc(\C=N\Nc2nc(nc(n2)N3CCCC3)N4CCCC4)cc1	100000	nM
P98170	CHEMBL1987232	COc1ccc(\C=N\Nc2nc(nc(n2)N3CCCC3)N4CCCC4)cc1	100000	nM
P98170	CHEMBL1988829	COc1cc(\C=N\Nc2nc(Nc3ccc(C)cc3)nc(n2)n4nc(C)cc4C)cc(OC)c1OC	100000	nM
P98170	CHEMBL1988829	COc1cc(\C=N\Nc2nc(Nc3ccc(C)cc3)nc(n2)n4nc(C)cc4C)cc(OC)c1OC	100000	nM
P98170	CHEMBL2158052	CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]3CN(CC[C@H]4CC[C@H](N4C3=O)C(=O)NC(c5ccccc5)c6ccccc6)C(=O)CC(C)C	221000	nM
P98170	CHEMBL2431757	Cl.CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc3ccc(C)c4ccccc34)C1=O	54000	nM
P98170	CHEMBL2431760	Cl.CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc3c(OC)ccc4cc(Br)ccc34)C1=O	54000	nM
P98170	CHEMBL2431771	Cl.CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(CCc3ccccc3)C1=O	54000	nM
P98170	CHEMBL2431756	Cl.CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc3cccc4ccccc34)C1=O	54000	nM
P98170	CHEMBL2431763	Cl.COc1ccc2cc(Br)ccc2c1CN3C(=O)[C@H](CCc4ccccc34)NC(=O)[C@@H](N)[C@H](C)O	54000	nM
P98170	CHEMBL2431758	Cl.CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc3c(C)ccc4ccccc34)C1=O	54000	nM
P98170	CHEMBL2431761	Cl.CN[C@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc3c(OC)ccc4cc(Br)ccc34)C1=O	54000	nM
P98170	CHEMBL2436328	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc3c(OC)ccc4ccccc34)C1=O	54800	nM
P98170	CHEMBL2436320	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C)c2ccccc2N(Cc3cccc4ccccc34)C1=O	54800	nM
P98170	CHEMBL2436222	Cl.CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(=O)(=O)C)c2ccccc2N(Cc3nn(c4ccccc4C#N)c5ccccc35)C1=O	54800	nM
P98170	CHEMBL2436215	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(=O)(=O)C)c2ccccc2N(Cc3c(OC)ccc4cc(Br)ccc34)C1=O	54800	nM
P98170	CHEMBL2436218	Cl.CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(=O)(=O)C)c2ccccc2N(Cc3c(OC)ccc4ccccc34)C1=O	54800	nM
P98170	CHEMBL2436219	Cl.CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(=O)(=O)C)c2ccccc2N(Cc3c(C)ccc4ccccc34)C1=O	54800	nM
P98170	CHEMBL2436221	Cl.CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(=O)(=O)C)c2ccccc2N(Cc3nn(C)c4ccccc34)C1=O	54800	nM
P98170	CHEMBL2436324	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc3ccccc3)C1=O	54800	nM
P98170	CHEMBL2436207	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3N(Cc4c(OC)ccc5cc(Br)ccc45)C1=O	54800	nM
P98170	CHEMBL2436329	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc3c(OC)ccc4cc(Br)ccc34)C1=O	54800	nM
P98170	CHEMBL2436326	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(C(C)c3cccc4ccccc34)C1=O	54800	nM
P98170	CHEMBL2436228	Cl.CN[C@@H](C)C(=O)N[C@H]1CNc2ccccc2N(Cc3cccc4ccccc34)C1=O	54800	nM
P98170	CHEMBL2436321	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc3cccc4ccccc34)C1=O	54800	nM
P98170	CHEMBL2436325	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(CCc3ccccc3)C1=O	54800	nM
P98170	CHEMBL2436327	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc3c(C)ccc4ccccc34)C1=O	54800	nM
P98170	CHEMBL2436323	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(CCC(C)C)c2ccccc2N(Cc3cccc4ccccc34)C1=O	54000	nM
P98170	CHEMBL2436220	Cl.CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(=O)(=O)C)c2ccccc2N(Cc3noc4ccccc34)C1=O	54800	nM
P98170	CHEMBL2436214	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C)c2ccccc2N(Cc3c(OC)ccc4cc(Br)ccc34)C1=O	54800	nM
P98170	CHEMBL2436322	Cl.CN[C@@H](C)C(=O)N[C@H]1CN(C)c2ccccc2N(Cc3cccc4ccccc34)C1=O	54000	nM
P98170	CHEMBL2431753	Cl.CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2noc3ccccc23)c4ccccc4OC15CCOCC5	54800	nM
P98170	CHEMBL2431754	Cl.CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2nn(c3ccccc3C#N)c4ccccc24)c5ccccc5OC16CCOCC6	54800	nM
P98170	CHEMBL2431772	Cl.CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc3ccc4ccccc4c3)C1=O	54000	nM
P98170	CHEMBL2431765	CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc3c(OC)ccc4cc(Br)ccc34)C1=O.OC(=O)C(F)(F)F	54000	nM
P98170	CHEMBL2431770	Cl.CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc3ccccc3)C1=O	54000	nM
P98170	CHEMBL2431759	Cl.CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc3c(OC)ccc4ccccc34)C1=O	54000	nM
P98170	CHEMBL2431769	C[C@H](N)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc12	54200	nM
P98170	CHEMBL2431764	Cl.CCN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc3c(OC)ccc4cc(Br)ccc34)C1=O	54000	nM
P98170	CHEMBL3212201	CCN1\C(=N\c2ccc(cc2)N3CCOCC3)\C=Cc4ccccc14	100000	nM
P98170	CHEMBL3212201	CCN1\C(=N\c2ccc(cc2)N3CCOCC3)\C=Cc4ccccc14	100000	nM
P98170	CHEMBL3193073	CCOC(=O)N\N=C\c1ccc(Oc2ccccc2)cc1	100000	nM
P98170	CHEMBL3193073	CCOC(=O)N\N=C\c1ccc(Oc2ccccc2)cc1	100000	nM
P98170	CHEMBL3194664	COc1cccc(c1)\C(=C\C=N\c2cc(C)ccc2O)\O	100000	nM
P98170	CHEMBL3194664	COc1cccc(c1)\C(=C\C=N\c2cc(C)ccc2O)\O	100000	nM
P98170	CHEMBL3190784	C\C(=N/NC(=O)c1ccc(C)cc1)\Cn2nnc(n2)[N+](=O)[O-]	100000	nM
P98170	CHEMBL3190784	C\C(=N/NC(=O)c1ccc(C)cc1)\Cn2nnc(n2)[N+](=O)[O-]	100000	nM
P98170	CHEMBL3209510	CC\C(=N/NS(=O)(=O)C)\c1ccccc1	100000	nM
P98170	CHEMBL3209510	CC\C(=N/NS(=O)(=O)C)\c1ccccc1	100000	nM
P98170	CHEMBL3190977	COc1cc(\C=N\Nc2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2)ccc1O	100000	nM
P98170	CHEMBL3190977	COc1cc(\C=N\Nc2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2)ccc1O	100000	nM
P98170	CHEMBL3214227	CC(=C)C1CC=C(C)\C(=N\NC(=O)CNc2ccc(C)cc2C)\C1	100000	nM
P98170	CHEMBL3214227	CC(=C)C1CC=C(C)\C(=N\NC(=O)CNc2ccc(C)cc2C)\C1	100000	nM
P98170	CHEMBL3213596	COc1ccc(OC)c(\C=N\NC(=O)c2oc(Cn3cc(cn3)[N+](=O)[O-])cc2)c1	100000	nM
P98170	CHEMBL3213596	COc1ccc(OC)c(\C=N\NC(=O)c2oc(Cn3cc(cn3)[N+](=O)[O-])cc2)c1	100000	nM
P98170	CHEMBL3195655	CC\N=C\1/CN2C(=Nc3scc(c4ccccc4)c3C2=O)CN1CC	100000	nM
P98170	CHEMBL3195655	CC\N=C\1/CN2C(=Nc3scc(c4ccccc4)c3C2=O)CN1CC	100000	nM
P98170	CHEMBL3197453	Cc1ccc(cn1)C(=O)N\N=C/c2ccccc2[N+](=O)[O-]	100000	nM
P98170	CHEMBL3197453	Cc1ccc(cn1)C(=O)N\N=C/c2ccccc2[N+](=O)[O-]	100000	nM
P98170	CHEMBL3600726	CC(C)c1ccc2CCN(C(=O)CN3CCN[C@H](C)C3)c2c1	59000	nM
P98170	CHEMBL3600720	C[C@H](N)C(=O)Nc1cccc(N)n1	110000	nM
P98170	CHEMBL3600727	C[C@@H]1CN(CC(=O)N2CCc3ccc(F)cc23)CCN1	51000	nM
P53350	CHEMBL388978	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35	129000	nM
P53350	CHEMBL1290072	COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1	271000	nM
P53350	CHEMBL517956	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P53350	CHEMBL518060	CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P53350	CHEMBL553	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC	100000	nM
P53350	CHEMBL199759	Cc1n[nH]c2sc(C(=O)N)c(NC(=O)COc3ccccc3)c12	100000	nM
P53350	CHEMBL456936	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P53350	CHEMBL199658	Cc1n[nH]c2sc(C(=O)N)c(NC(=O)c3ccc(Cl)cc3)c12	100000	nM
P53350	CHEMBL201511	COc1cc(cc(OC)c1OC)C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34	100000	nM
P53350	CHEMBL515982	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P53350	CHEMBL200348	COC(=O)c1cc2c(CN3CCCCC3)n[nH]c2s1	100000	nM
P53350	CHEMBL464351	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C	100000	nM
P53350	CHEMBL200586	COC(=O)c1cc2c(C)n[nH]c2s1	100000	nM
P53350	CHEMBL382070	Cc1n[nH]c2sc(C(=O)N)c(NC(=O)c3cccs3)c12	100000	nM
P53350	CHEMBL199657	Cc1n[nH]c2sc(C(=O)N)c(NC(=O)c3cccc(Cl)c3)c12	100000	nM
P53350	CHEMBL456294	CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P53350	CHEMBL1922225	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C	100000	nM
P53350	CHEMBL1922224	CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C	100000	nM
P53350	CHEMBL2324036	Cc1cc(c(OCCO)c(c1)c2ccc(cc2)c3nnn[nH]3)c4ccc(cc4)C#N	151000	nM
P53350	CHEMBL2324036	Cc1cc(c(OCCO)c(c1)c2ccc(cc2)c3nnn[nH]3)c4ccc(cc4)C#N	139000	nM
P53350	CHEMBL2324036	Cc1cc(c(OCCO)c(c1)c2ccc(cc2)c3nnn[nH]3)c4ccc(cc4)C#N	146000	nM
P53350	CHEMBL2401961	CC(C)N1c2nc(ncc2N(C)C(=O)C1(C)C)n3ccnc3c4ccc(F)cc4	100000	nM
P53350	CHEMBL2407749	O=C1Nc2ccccc2/C/1=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3	100000	nM
P53350	CHEMBL3218002	ONC(=O)\C=C\c1ccn(c1)S(=O)(=O)c2ccc3ncnc(Nc4cccc(c4)C#C)c3c2	100000	nM
P53350	CHEMBL3109401	CC(C)CCNC1=CC(=O)C(=C(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)C1=O)O	100000	nM
P53350	CHEMBL3109402	COc1cc2nc(C)oc2c(C[C@]3(C)[C@@H](C)CC[C@]4(C)[C@H]3CCC=C4C)c1O	100000	nM
P53350	CHEMBL3109933	CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(c4cnn(C)c4)n3C(=O)OC(C)(C)C)c(Cl)c1	100000	nM
P53350	CHEMBL3218000	Nc1ccccc1NC(=O)c2ccc(COc3ccc4ncnc(Nc5cccc(c5)C#C)c4c3)cc2	100000	nM
P53350	CHEMBL3217993	Nc1ccccc1NC(=O)c2ccc(COc3ccc4ncnc(Nc5cccc(Br)c5)c4c3)cc2	100000	nM
P53350	CHEMBL3361128	Oc1ccc(\C=C/2\Oc3ccccc3C2=O)cc1O	100000	nM
P53350	CHEMBL3358966	COc1cc(cc(OC)c1OC)C2=NC(=CNC2=O)c3c[nH]c4ccccc34	100000	nM
P53350	CHEMBL3353347	CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]4C[C@@]45C(=O)Nc6ccccc56)cc1	100000	nM
P53350	CHEMBL3353340	O=C1Nc2ccccc2[C@]13C[C@H]3c4ccc5c(\C=C\c6ccncc6)n[nH]c5c4	100000	nM
P53350	CHEMBL3809829	COc1cc(ccc1Nc2ncc3ccnc(N[C@@H](C)C(C)(C)C)c3n2)c4cnn(C)c4	100000	nM
P14324	CHEMBL1160571	OP(=O)(O)OP(=O)(O)O	181000	nM
P14324	CHEMBL1160571	OP(=O)(O)OP(=O)(O)O	243000	nM
P14324	CHEMBL240772	OC(=O)C(Cl)(Cc1cccnc1)P(=O)(O)O	600000	nM
P14324	CHEMBL397829	OC(=O)C(O)(Cc1cccnc1)P(=O)(O)O	200000	nM
P14324	CHEMBL397829	OC(=O)C(O)(Cc1cccnc1)P(=O)(O)O	1000000	nM
P14324	CHEMBL397829	OC(=O)C(O)(Cc1cccnc1)P(=O)(O)O	254000	nM
P14324	CHEMBL397829	OC(=O)C(O)(Cc1cccnc1)P(=O)(O)O	467000	nM
P14324	CHEMBL397829	OC(=O)C(O)(Cc1cccnc1)P(=O)(O)O	253500	nM
P14324	CHEMBL1230158	Cc1c(CC(=O)O)sc2ccc(Cl)cc12	500000000	nM
P14324	CHEMBL1230160	OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc3ccccc3	500000000	nM
P14324	CHEMBL1230159	OC(=O)Cc1csc2ccc(Cl)cc12	500000000	nM
P14324	CHEMBL272054	OC1=C(C(=O)Nc2ccc(cc2)C3CCCCC3)C(=O)N[C@@H](C1)c4ccccc4	100000	nM
P14324	CHEMBL240776	OC(=O)C(Cc1cccnc1)P(=O)(O)O	1000000	nM
P14324	CHEMBL1234470	COc1ccc2c(CC(=O)O)coc2c1	500000000	nM
P14324	CHEMBL235481	CCCCCCCCCCCCCCCC[S+](C)CC(P(=O)(O)O)P(=O)(O)[O-]	50118.72	nM
P14324	CHEMBL261311	OP(=O)(O)CCc1cccnc1	800000	nM
P14324	CHEMBL261311	OP(=O)(O)CCc1cccnc1	824000	nM
P14324	CHEMBL260340	Cc1cccnc1NC(P(=O)(C)O)P(=O)(C)O	330000	nM
P14324	CHEMBL260340	Cc1cccnc1NC(P(=O)(C)O)P(=O)(C)O	10000000	nM
P14324	CHEMBL272162	OC1=C(C(=O)Nc2ccc(cc2)C3CCCCC3)C(=O)NC1CCc4ccccc4	100000	nM
P14324	CHEMBL240775	OC(=O)C(Br)(Cc1cccnc1)P(=O)(O)O	60000	nM
P14324	CHEMBL272377	OC1=C(C(=O)Nc2ccc(cc2)C3CCCCC3)C(=O)NC1c4ccccc4	100000	nM
P14324	CHEMBL240771	OC(=O)C(F)(Cc1cccnc1)P(=O)(O)O	600000	nM
P14324	CHEMBL403226	OC1=C(C(=O)Nc2ccc(cc2)C3CCCCC3)C(=O)NC1Cc4ccccc4	100000	nM
P14324	CHEMBL257948	OC1=C(C(=O)Nc2ccc(cc2)c3ccccc3)C(=O)NC1CCc4ccccc4	100000	nM
P14324	CHEMBL2315880	[Na+].[Na+].[Na+].[Na+].CC(=CCCC(=CCn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1)C)C	84000	nM
P14324	CHEMBL2338367	CCCCCCCCCCCCCCCn1cc[n+](CC(O)(P(=O)(O)O)P(=O)(O)[O-])c1	60000	nM
P14324	CHEMBL3262351	[Na+].[Na+].[Na+].[Na+].CC(=CCC\C(=C\Cn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1)\C)C	57000	nM
P14324	CHEMBL3262352	[Na+].[Na+].[Na+].[Na+].CC(=CCC\C(=C/Cn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1)\C)C	79000	nM
P14324	CHEMBL3422846	OC(=O)C(Cc1ccc[n+]([O-])c1)P(=O)(O)O	2000000	nM
P14324	CHEMBL3422845	OC(=O)C(O)(Cc1ccc[n+]([O-])c1)P(=O)(O)O	2000000	nM
P00519	CHEMBL1290072	COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1	392000	nM
P00519	CHEMBL1172697	Fc1ccc(CSc2nc3CCCCc3c(c4cccs4)c2C#N)cc1	74000	nM
P00519	CHEMBL551030	Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n3cnc4c(Nc5ccccn5)ncnc34	243000	nM
P00519	CHEMBL559628	Cc1ccc(cc1\C=C\n2cnc3c(NC4CC4)ncnc23)C(=O)Nc5cccc(c5)C(C)(C)C	59000	nM
P00519	CHEMBL14762	CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1	100000	nM
P00519	CHEMBL14762	CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1	100000	nM
P00519	CHEMBL559068	CN(C)CCCNc1ncnc2c1ncn2\C=C\c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C	157000	nM
P00519	CHEMBL564575	Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n3cnc4c(NC5CC5)ncnc34	74000	nM
P00519	CHEMBL551838	Cc1ccc(cc1\C=C\n2cnc3c(NC4CC4)ncnc23)C(=O)Nc5cc(ccc5F)C(F)(F)F	236000	nM
P00519	CHEMBL559438	Cc1ccc(cc1\C=C\n2cnc3c(NC4CC4)ncnc23)C(=O)Nc5ncc(s5)C(C)(C)C	267000	nM
P00519	CHEMBL550623	CNc1ncnc2c1ncn2CCc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C	96000	nM
P00519	CHEMBL1170563	O=C(CSc1nc2CCCCc2c(c3ccsc3)c1C#N)c4ccccc4	150000	nM
P00519	CHEMBL559702	CC(C)c1cccc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)c1	60000	nM
P00519	CHEMBL556670	Cc1ccc(cc1\C=C\n2cnc3c(NC4CC4)ncnc23)C(=O)Nc5cc(nn5C)C(C)(C)C	146000	nM
P00519	CHEMBL201511	COc1cc(cc(OC)c1OC)C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34	93000	nM
P00519	CHEMBL228043	C\C(=C(/C#N)\C(=O)Nc1cc(Br)ccc1Br)\O	500000	nM
P00519	CHEMBL559069	Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1\C=C\n3cnc4c(NC5CC5)ncnc34	62000	nM
P00519	CHEMBL941	CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1	74000	nM
P00519	CHEMBL1171912	N#Cc1c(SCc2ccccc2)nc3CCCCc3c1c4cccs4	72000	nM
P00519	CHEMBL553695	Cc1ccc(cc1\C=C\n2cnc3c(NC4CC4)ncnc23)C(=O)Nc5cc(cc(c5)C(F)(F)F)N6CCOCC6	72000	nM
P00519	CHEMBL1172147	Nc1nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c(c3ccsc3)c1C#N	60000	nM
P00519	CHEMBL2420909	C1CCC2(CCN(CC2)c3ncnc4[nH]cnc34)NC1	126000	nM
P00519	CHEMBL3318029	Cn1cc(cn1)c2cnc3ccc(NC(=O)NCc4ccccc4)nc3c2	100000	nM
P00519	CHEMBL3318024	CCNC(=O)Nc1ccc2ncc(cc2n1)c3ccc(OC)c(OC)c3	100000	nM
P00519	CHEMBL3347621	Brc1ccccc1C(=O)Nc2cnc3[nH]c(Cc4ccc[nH]4)cc3c2	63330	nM
P00519	CHEMBL3347647	CN(C)CCCNC(=O)c1cc2cc(NC(=O)c3ccccc3Br)cnc2[nH]1	100000	nM
P00519	CHEMBL3347636	COC(=O)c1cc2cc(NC(=O)c3ccccc3Br)cnc2[nH]1	100000	nM
P00519	CHEMBL3347624	COC(=O)c1cc2cc(NC(=O)c3c(F)cccc3OC)cnc2[nH]1	100000	nM
P00519	CHEMBL3318025	COc1ccc(cc1OC)c2cnc3ccc(NC(=O)NC(C)(C)C)nc3c2	100000	nM
P00519	CHEMBL3318028	Cn1cc(cn1)c2cnc3ccc(NC(=O)Nc4ccccc4)nc3c2	100000	nM
P00519	CHEMBL3318026	COc1cc(ccc1O)c2cnc3ccc(NC(=O)NC(C)(C)C)nc3c2	100000	nM
P00519	CHEMBL3318030	Cn1cc(cn1)c2cnc3ccc(NC(=O)NCCc4ccccc4)nc3c2	100000	nM
P00519	CHEMBL3401463	CCOc1ccc(cc1c2nnc3c(n2)c(C)nn3C)S(=O)(=O)NC(C)(CO)CO	100000	nM
P00519	CHEMBL3401464	CCOc1ccc(cc1c2nnc3c(n2)c(C)nn3C)S(=O)(=O)NC(C)(C)CO	100000	nM
P00519	CHEMBL3735380	CC(C)n1nc(C#Cc2cccc(c2)C(F)(F)F)c3c(N)ncnc13	100000	nM
P00519	CHEMBL3735380	CC(C)n1nc(C#Cc2cccc(c2)C(F)(F)F)c3c(N)ncnc13	100000	nM
P00519	CHEMBL3780358	COc1cccc(NC(=O)Nc2cncc3nc(cnc23)c4ccccc4)c1	100000	nM
P00519	CHEMBL3781906	C=CCNC(=O)Nc1cncc2nc(cnc12)c3ccccc3	100000	nM
P00519	CHEMBL3780151	Fc1ccc(Nc2cncc3nc(cnc23)c4ccccc4)cc1Cl	100000	nM
P00519	CHEMBL3780768	COc1cccc(NC(=O)Nc2nccc3nc(cnc23)c4ccccc4)c1	100000	nM
P00519	CHEMBL3780350	C#Cc1cccc(Nc2nccc3nc(cnc23)c4ccccc4)c1	100000	nM
P00519	CHEMBL3781584	COc1cccc(Nc2nccc3nc(cnc23)c4ccccc4)c1	100000	nM
P00519	CHEMBL3781566	COc1ccc(Nc2nccc3nc(cnc23)c4ccccc4)cc1	100000	nM
P00519	CHEMBL3781159	COc1cccc(Nc2cc3nc(cnc3cn2)c4ccccc4)c1	100000	nM
P00519	CHEMBL3780543	C1CN(CCO1)c2ccc(Nc3cc4nc(cnc4cn3)c5ccccc5)cc2	100000	nM
P00519	CHEMBL3800481	CCOC(Cn1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14)OCC	100000	nM
P00519	CHEMBL3809128	COCC1=Nc2c(C(=O)N1C)c(C)nn2c3ccccc3	100000	nM
P00519	CHEMBL3808590	COCC1=Nc2c(C(=O)N1CC#N)c(C)nn2c3ccccc3	100000	nM
P00519	CHEMBL3810117	CCOCC1=Nc2c(C(=O)N1C)c(C)nn2c3ccccc3	100000	nM
P00519	CHEMBL3808505	CCOCC1=Nc2c(C(=O)N1CC#N)c(C)nn2c3ccccc3	100000	nM
P00519	CHEMBL3808727	Cc1nn(c2ccccc2)c3N=C(CNc4ccc(O)cc4)NC(=O)c13	100000	nM
P56817	CHEMBL164660	O=C1Oc2cc3occc3cc2C=C1	500000	nM
P56817	CHEMBL332713	CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@@H](N)Cc2ccccc2)C(=O)NCc3ccc(cc3)C(=O)O	100000	nM
P56817	CHEMBL156692	CC(=CCOc1ccc2C=CC(=O)Oc2c1)C	500000	nM
P56817	CHEMBL589416	COc1cc2occc2c(OCC=C(C)C)c1CCC(=O)O	203300	nM
P56817	CHEMBL325864	COc1cc2OC(=O)C=Cc2cc1OC	500000	nM
P56817	CHEMBL500034	CC1(C)O[C@@H]1COc2c3OC(=O)C=Cc3cc4ccoc24	443600	nM
P56817	CHEMBL481658	CC(=CC(=O)O[C@H]1Cc2cc3C=CC(=O)Oc3cc2OC1(C)C)C	500000	nM
P56817	CHEMBL235825	CCCC1=CC(=O)NC(=N1)N	2490000	nM
P56817	CHEMBL350475	CC(=CCc1c(O)ccc2C=CC(=O)Oc12)C	500000	nM
P56817	CHEMBL244743	Oc1cc2OC(=O)C=Cc2cc1O	500000	nM
P56817	CHEMBL363539	COCCCNC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1N(C)C	283900	nM
P56817	CHEMBL237888	CN1C(=O)C=C(CCc2ccccc2)N=C1N	171000	nM
P56817	CHEMBL237888	CN1C(=O)C=C(CCc2ccccc2)N=C1N	220000	nM
P56817	CHEMBL464006	CC(=CCC1=C(Oc2c3C=CC(C)(C)Oc3cc(O)c2C1=O)c4ccc(O)cc4O)C	59400	nM
P56817	CHEMBL567341	CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N	63095.73	nM
P56817	CHEMBL435747	Nc1ncccc1NCc2ccccc2	310000	nM
P56817	CHEMBL52229	COc1ccc2C=CC(=O)Oc2c1CC=C(C)C	500000	nM
P56817	CHEMBL242711	Oc1c2C=CC(=O)Oc2cc3occc13	500000	nM
P56817	CHEMBL442813	CC(C)(O)[C@@H]1Cc2cc3C=CC(=O)Oc3cc2O1	500000	nM
P56817	CHEMBL454060	CC(C)(O)[C@H](O)COc1c2C=CC(=O)Oc2cc3occc13	500000	nM
P56817	CHEMBL1173444	CC(C)(O)[C@H](O)COc1c2OC(=O)C=Cc2cc3ccoc13	500000	nM
P56817	CHEMBL463145	Oc1ccc(C2=CC(=O)c3c(O)cc(O)cc3O2)c(O)c1	60600	nM
P56817	CHEMBL1631595	C\C=C(/C)\C(=O)O[C@H]1Cc2cc3C=CC(=O)Oc3cc2OC1(C)C	500000	nM
P56817	CHEMBL326488	CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)NCc3ccc(cc3)C(=O)O	100000	nM
P56817	CHEMBL71358	CC1(C)Oc2ccc3C=CC(=O)Oc3c2C=C1	500000	nM
P56817	CHEMBL1710181	CC(=CCOc1c2OC(=O)C=Cc2c(OCC=C(C)C)c3ccoc13)C	500000	nM
P56817	CHEMBL140796	COc1c2OC(=O)C=Cc2c(OC)c3ccoc13	500000	nM
P56817	CHEMBL502689	CC(=CCc1cc2C=CC(=O)Oc2cc1O)C	412900	nM
P56817	CHEMBL140	COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O	343000	nM
P56817	CHEMBL481657	CC1(C)Oc2cc3OC(=O)C=Cc3cc2C[C@@H]1O	500000	nM
P56817	CHEMBL307341	CC(=CCC\C(=C\COc1ccc2C=CC(=O)Oc2c1)\C)C	345100	nM
P56817	CHEMBL179512	COc1cc(\C=C\C(=C\C(=O)\C=C\c2ccc(O)cc2)\O)ccc1O	1600000	nM
P56817	CHEMBL127911	Oc1cc(cc(O)c1O)C(=O)OC[C@@H]2O[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H]2OC(=O)c6cc(O)c(O)c(O)c6	160000	nM
P56817	CHEMBL1719948	CC(C)(O)CCC1=C(Oc2c3C=CC(C)(C)Oc3cc(O)c2C1=O)c4ccc(O)cc4O	135900	nM
P56817	CHEMBL24171	COc1c2C=CC(=O)Oc2cc3occc13	500000	nM
P56817	CHEMBL416	COc1c2OC(=O)C=Cc2cc3ccoc13	500000	nM
P56817	CHEMBL303846	CC1(C)Oc2cc3OC(=O)C=Cc3cc2C=C1	500000	nM
P56817	CHEMBL6466	O=C1Oc2ccccc2C=C1	500000	nM
P56817	CHEMBL589100	CC(=CCOc1c(CCC(=O)O)c(O)cc2occc12)C	185600	nM
P56817	CHEMBL49732	COc1ccc2C=CC(=O)Oc2c1	500000	nM
P56817	CHEMBL508648	COc1c2C=CC(=O)Oc2c(OC[C@@H](O)C(C)(C)O)c3occc13	219700	nM
P56817	CHEMBL453805	CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C	91800	nM
P56817	CHEMBL1192	Oc1c2OC(=O)C=Cc2cc3ccoc13	500000	nM
P56817	CHEMBL592382	COC(=O)CCc1c(O)cc2occc2c1OCC=C(C)C	203300	nM
P56817	CHEMBL264296	CNC(=O)c1cc(cc(c1)C(=O)NC(CO)Cc2cccc(OC)c2)N(C)S(=O)(=O)C	100000	nM
P56817	CHEMBL387984	CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)c2ccccc2)N(C)S(=O)(=O)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C	190000	nM
P56817	CHEMBL235754	COc1cccc(c1)c2cccc(CCC3=CC(=O)N(C)C(=N3)N)c2	91000	nM
P56817	CHEMBL53569	O=C1Oc2c(C=C1)ccc3occc23	500000	nM
P56817	CHEMBL129964	O\C(=C/C(=O)\C=C\c1ccc(O)c(O)c1)\C=C\c2ccc(O)c(O)c2	2200000	nM
P56817	CHEMBL452751	COc1c2C=CC(=O)Oc2c(OCC=C(C)C)c3occc13	1432000	nM
P56817	CHEMBL510120	CC1(C)O[C@H]1COc2c3C=CC(=O)Oc3cc4occc24	359200	nM
P56817	CHEMBL201152	CC(C)(O)[C@@H]1Cc2c(O1)ccc3C=CC(=O)Oc23	500000	nM
P56817	CHEMBL51628	Oc1ccc2C=CC(=O)Oc2c1	500000	nM
P56817	CHEMBL448060	CC(=CCOc1c2C=CC(=O)Oc2cc3occc13)C	244200	nM
P56817	CHEMBL448060	CC(=CCOc1c2C=CC(=O)Oc2cc3occc13)C	244200	nM
P56817	CHEMBL392662	COc1cccc(c1)c2cccc(c2)C3(C)CC(=O)N(C)C(=N3)N	91000	nM
P56817	CHEMBL1414353	CC1(C)Oc2ccc3C=CC(=O)Oc3c2CC1O	500000	nM
P56817	CHEMBL1770313	CC(=CC1Oc2cc(O)ccc2C3=C1C(=O)c4c(O)cc5OC(C)(C)C=Cc5c4O3)C	101200	nM
P56817	CHEMBL1770315	C\C(=C\CC1=C(Oc2c3C=CC(C)(CO)Oc3cc(O)c2C1=O)c4ccc(O)cc4O)\CO	103500	nM
P56817	CHEMBL1760863	O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc3ccccc3	66000	nM
P56817	CHEMBL1770314	CC(C)(O)C1CC2=C(Oc3c4C=CC(C)(C)Oc4cc(O)c3C2=O)c5ccc(O)cc5O1	146100	nM
P56817	CHEMBL1760730	CC(C)c1cccc(CN[C@H]2COC[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1	55000	nM
P56817	CHEMBL1760862	N[C@H]1CS(=O)(=O)C[C@@H](Cc2ccc(O)c(Br)c2)[C@@H]1O	100000	nM
P56817	CHEMBL1934070	CC(=CCOc1c2C=CC(=O)Oc2c(O)c3occc13)C	500000	nM
P56817	CHEMBL1928409	COc1cc2OC(=O)C=Cc2cc1CC=C(C)C	500000	nM
P56817	CHEMBL1934194	COc1c2OC(=O)C=Cc2c(OCC=C(C)C)c3ccoc13	3442000	nM
P56817	CHEMBL1934071	CC(=CCC\C(=C\COc1c2C=CC(=O)Oc2c(O)c3occc13)\C)C	500000	nM
P56817	CHEMBL1934069	COc1c2C=CC(=O)Oc2c(O)c3occc13	500000	nM
P56817	CHEMBL1934068	Oc1c2OC(=O)C=Cc2c(O)c3ccoc13	500000	nM
P56817	CHEMBL1934196	COc1c2C=CC(=O)Oc2c(OC[C@H]3OC3(C)C)c4occc14	104900	nM
P56817	CHEMBL1934198	CC1(C)CCc2cc3C=CC(=O)Oc3cc2O1	500000	nM
P56817	CHEMBL2059103	OC(CCn1c2ccccc2c3ccccc13)Cn4c5ccccc5c6ccccc46	100000	nM
P56817	CHEMBL2058870	O=C(CSc1ccc2ccccc2c1)Cn3c4ccccc4c5ccccc35	80000	nM
P56817	CHEMBL2315715	CN1CC(=O)OB(OC(=O)C1)\C=C\c2ccccc2	136150	nM
P56817	CHEMBL2322533	NCc1ccc(CNC(=O)Cc2ccc(cc2O)c3ccccc3)cc1	100000	nM
P56817	CHEMBL2322832	CC[N+](CC)(CC)Cc1ccc(CNC(=O)Cc2ccc(cc2)c3ccccc3)cc1	100000	nM
P56817	CHEMBL2322535	CC(C(=O)NCc1ccc(CN)cc1)c2ccc(c(F)c2)c3ccccc3	77100	nM
P56817	CHEMBL2322540	NCc1ccc(CNC(=O)Cc2ccc(cc2)c3c(F)c(F)c(F)c(F)c3F)cc1	101000	nM
P56817	CHEMBL2322536	C[C@@H](C(=O)NCc1ccc(CN)cc1)c2ccc(c(F)c2)c3ccccc3	85700	nM
P56817	CHEMBL2322830	O=C(Cc1ccc(cc1)c2ccccc2)NCc3ccc(CN4Cc5ccccc5C4)cc3	63300	nM
P56817	CHEMBL2322542	NCc1ccc(CNC(=O)Cc2ccc(cc2)c3ccc(O)cc3)cc1	100000	nM
P56817	CHEMBL2322829	O=C(Cc1ccc(cc1)c2ccccc2)NCc3ccc(CN4CCCC4)cc3	100000	nM
P56817	CHEMBL2322541	NCc1ccc(CNC(=O)Cc2ccc(cc2)c3cccc(c3)C(F)(F)F)cc1	58900	nM
P56817	CHEMBL2322833	NCc1ccc(CNC(=O)Cc2ccc(cc2)c3ccccc3)cc1.OC(=O)C(F)(F)F	323000	nM
P56817	CHEMBL2322539	NCc1ccc(CNC(=O)Cc2ccc(cc2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc1	63900	nM
P56817	CHEMBL2169929	CN1C(=O)C=C(N=C1N)[C@H]2C[C@@H]2c3ccccc3	2000000	nM
P56817	CHEMBL2322831	CCN(CC)Cc1ccc(CNC(=O)Cc2ccc(cc2)c3ccccc3)cc1	100000	nM
P56817	CHEMBL2322534	NCc1ccc(CNC(=O)Cc2ccc(c(O)c2)c3ccccc3)cc1	100000	nM
P56817	CHEMBL2169935	CN1C(=O)C=C(N=C1N)[C@@H]2C[C@@H]2c3cccc(c3)c4ccccc4	1848000	nM
P56817	CHEMBL2169924	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccc(cc3)c4cccc(c4)C(=O)N	59900	nM
P56817	CHEMBL2169931	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(Br)c3	502000	nM
P56817	CHEMBL2303749	O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3c4c(O)c(O)c(O)cc4C(=O)OO[C@@H]1[C@@H](O)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)O2	160000	nM
P56817	CHEMBL2177486	COc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c4cccc(F)c4)C[C@@H]2C)c1	99300	nM
P56817	CHEMBL2181978	COC(=O)N1CCC(CC1)OC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc4ccccc34	83700	nM
P56817	CHEMBL2169932	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4ccccc4	614000	nM
P56817	CHEMBL2169940	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccc(cc3)c4ccc(C)cc4	119000	nM
P56817	CHEMBL2169946	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccc(cc3)c4cc(C)cs4	50700	nM
P56817	CHEMBL2169947	COc1cccc(n1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C)C(=N4)N	53300	nM
P56817	CHEMBL2169925	CCSc1cccc(c1)c2ccc(CCC3=CC(=O)N(C)C(=N3)N)cc2	200000	nM
P56817	CHEMBL2169928	CN1C(=O)C=C(N=C1N)[C@@H]2C[C@H]2c3ccccc3	2000000	nM
P56817	CHEMBL2169945	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccc(cc3)c4ccc(C)s4	165000	nM
P56817	CHEMBL2169916	COc1cc(ccn1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C)C(=N4)N	116000	nM
P56817	CHEMBL2181998	O=C(OC1CCOCC1)[C@H]2C[C@]3(CN2)C(=O)Nc4ccccc34	114000	nM
P56817	CHEMBL2181979	O=C(OCc1ccccc1)[C@H]2C[C@]3(CN2)C(=O)Nc4ccccc34	85700	nM
P56817	CHEMBL2169927	CN1C(=O)C=C(N=C1N)[C@@H]2C[C@@H]2c3ccccc3	619000	nM
P56817	CHEMBL2169936	COc1cccc(c1)c2cccc(c2)[C@H]3C[C@H]3C4=CC(=O)N(C)C(=N4)N	103000	nM
P56817	CHEMBL2169941	CN1C(=O)C=C(CCc2ccc(cc2)c3ccccc3)N=C1N	200000	nM
P56817	CHEMBL2172797	CC(C)Oc1cccc(c1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C)C(=N4)N	54000	nM
P56817	CHEMBL2172792	NC1=NC(=CC(=O)N1)CCc2ccc3[nH]ccc3c2	130000	nM
P56817	CHEMBL2180017	CC(C)C1=NC(C)(N=C1N)c2cccc(c2)c3cccnc3	100000	nM
P56817	CHEMBL2169923	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccc(cc3)c4cccc(NC(=O)C)c4	70000	nM
P56817	CHEMBL2169934	CN1C(=O)C=C(N=C1N)[C@@H]2C[C@@H]2c3cccc(Br)c3	1114000	nM
P56817	CHEMBL2169944	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccc(cc3)c4occc4	59000	nM
P56817	CHEMBL2169926	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccccc3	157000	nM
P56817	CHEMBL2381574	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(CCc4cccc(C)c4)c3	200000	nM
P56817	CHEMBL2381675	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(N)c4	200000	nM
P56817	CHEMBL2381682	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(\C=C\c4ccccc4)c3	200000	nM
P56817	CHEMBL2381575	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(CCc4ccc(C)cc4)c3	200000	nM
P56817	CHEMBL2381572	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)C#Cc4ccccc4	200000	nM
P56817	CHEMBL2381581	CN(C)c1cccc(c1)c2cccc(c2)[C@@H]3C[C@@H]3C4=CC(=O)N(C)C(=N4)N	200000	nM
P56817	CHEMBL2381676	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(F)c4	72400	nM
P56817	CHEMBL2381576	COc1cccc(CCc2cccc(c2)[C@@H]3C[C@@H]3C4=CC(=O)N(C)C(=N4)N)c1	100000	nM
P56817	CHEMBL2380805	CC1(C)Cc2cc(Cl)ccc2C(=N1)N[C@H](Cc3ccccc3)C(=O)O	263800	nM
P56817	CHEMBL2381678	COc1cncc(n1)c2cccc(c2)[C@@H]3C[C@@H]3C4=CC(=O)N(C)C(=N4)N	84900	nM
P56817	CHEMBL2381577	CN1C(=O)C=C(CCc2cccc(CCc3ccccc3)c2)N=C1N	200000	nM
P56817	CHEMBL2380439	CCC1(Oc2ccccc2C(=N1)N)c3cccc(c3)c4cncnc4	100000	nM
P56817	CHEMBL2381579	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(C)c4	74900	nM
P56817	CHEMBL2381573	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(CCc4ccccc4C)c3	120000	nM
P56817	CHEMBL2397757	COc1cc(OC)c(cc1O)[C@H](C=C)c2ccccc2O	180000	nM
P56817	CHEMBL2346793	Cc1oc(nn1)C(Cc2ccccc2)NC3=NC(C)(C)Cc4cc(Cl)ccc34	339700	nM
P56817	CHEMBL2346791	CC1(C)Cc2ccccc2C(=N1)NC(Cc3ccccc3)c4nnn[nH]4	638600	nM
P56817	CHEMBL2346794	CC1(C)Cc2cc(Cl)ccc2C(=N1)NC(Cc3ccccc3)c4ncccn4	137100	nM
P56817	CHEMBL2346795	Cc1ccnc(n1)C(Cc2ccccc2)NC3=NC(C)(C)Cc4cc(Cl)ccc34	250000	nM
P56817	CHEMBL2346792	CC1(C)Cc2cc(Cl)ccc2C(=N1)NC(Cc3ccccc3)c4ocnn4	184900	nM
P56817	CHEMBL2346803	CC1(C)Cc2cc(Cl)ccc2C(=N1)N[C@@H](Cc3ccccc3)c4ncc5ccoc5n4	73700	nM
P56817	CHEMBL2381681	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(CCCc4ccccc4)c3	200000	nM
P56817	CHEMBL2381679	CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(Cc4ccccc4)c3	200000	nM
P56817	CHEMBL2437455	CN1C(=N[C@](C)(CC1=O)[C@H]2C[C@@H]2c3ccccc3)N.OC(=O)C(F)(F)F	200000	nM
P56817	CHEMBL2437449	CN1C(=N[C@@](C)(CC1=O)[C@H]2C[C@@H]2c3ccccc3)N.OC(=O)C(F)(F)F	132000	nM
P56817	CHEMBL2437451	CN1C(=N[C@](C)(CC1=O)[C@@H]2C[C@@H]2c3ccccc3)N.OC(=O)C(F)(F)F	200000	nM
P56817	CHEMBL2437453	CN1C(=N[C@@](C)(CCc2ccccc2)CC1=O)N.OC(=O)C(F)(F)F	200000	nM
P56817	CHEMBL2437456	CN1C(=N[C@](C)(CC1=O)[C@@H]2C[C@H]2c3ccccc3)N.OC(=O)C(F)(F)F	200000	nM
P56817	CHEMBL2437448	CN1C(=N[C@@](C)(CC1=O)[C@@H]2C[C@@H]2c3ccccc3)N.OC(=O)C(F)(F)F	200000	nM
P56817	CHEMBL2425615	COC[C@@H](Oc1cc(C[C@@H]2C[S+]([O-])C[C@H](N)[C@H]2O)cc(F)c1N)C(F)(F)F	150000	nM
P56817	CHEMBL2437447	CN1C(=N[C@](C)(CC1=O)[C@H]2C[C@H]2c3ccccc3)N.OC(=O)C(F)(F)F	200000	nM
P56817	CHEMBL2437450	CN1C(=N[C@@](C)(CC1=O)[C@H]2C[C@H]2c3ccccc3)N.OC(=O)C(F)(F)F	200000	nM
P56817	CHEMBL3086246	CC(C)(C)OC(=O)N(C[C@@H](O)c1cccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)c3ccccc3)c1)Cc4ccccc4	100000	nM
P56817	CHEMBL3103055	O\C(=C/C(=O)\C=C\c1ccc(O)c(O)c1)\C=C\c2c[nH]c3ccccc23	450000	nM
P56817	CHEMBL3103049	O\C(=C/C(=O)\C=C\c1ccc(O)c(O)c1)\C=C\c2cccc(c2)[N+](=O)[O-]	1800000	nM
P56817	CHEMBL3103052	O\C(=C/C(=O)\C=C\c1ccc(O)c(O)c1)\C=C\c2ccccc2O	250000	nM
P56817	CHEMBL3103051	COc1ccccc1\C=C\C(=C\C(=O)\C=C\c2ccc(O)c(O)c2)\O	1400000	nM
P56817	CHEMBL3261061	C[C@]1(C[C@H](OCC(=N1)N)c2ccccc2)c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F	142000	nM
P56817	CHEMBL3261081	NC1=Nc2ccccc2CS1	790000	nM
P56817	CHEMBL3261080	CC1=CSC(=NN1)N	8200000	nM
P56817	CHEMBL3287408	COC1Oc2ccccc2C3=C1Oc4cc(OC)c(C)c(O)c4C3=O	3000000	nM
P56817	CHEMBL3344262	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCc2ccccc2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344270	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccccc1)[C@@H](O)CC(=O)NCCc2ccccc2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344271	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1)[C@@H](O)CC(=O)NCCc2ccccc2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344154	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)[C@@H](O)CC(=O)NC1CCCCC1.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344159	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc2ccccc2)[C@@H](O)CC(=O)NC3CCCCC3	100000	nM
P56817	CHEMBL3344156	Cl.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC2CCCCC2	100000	nM
P56817	CHEMBL3344153	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)[C@@H](O)CC(=O)NCCCC(=O)N.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344151	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)[C@@H](O)CC(=O)N[C@@H](CCC(=O)N)C(=O)N	100000	nM
P56817	CHEMBL3326707	Cc1ccc2OC(=O)C(=Cc2c1)C(=O)NCCCCCCNc3c4CCCCc4nc5ccccc35	100000	nM
P56817	CHEMBL3344152	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344157	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC2CCCCC2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344266	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCCc2ccc(Cl)cc2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344265	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC(C)c2ccccc2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344165	CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC2CCCCC2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344268	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)[C@@H](O)CC(=O)NCCc2ccccc2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344272	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)Cc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc2ccccc2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344263	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCCc2ccccc2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344264	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC2Cc3ccccc3C2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344166	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC2CCCCC2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344155	Cl.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC2CCCCC2	100000	nM
P56817	CHEMBL3344164	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NC2CCCCC2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344267	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)N(C)CCc2ccc(Cl)cc2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344269	CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COCc1ccccc1)[C@@H](O)CC(=O)NCCc2ccccc2.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3344261	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc2ccccc2)[C@@H](O)CC(=O)NC3CCCCC3.OC(=O)C(F)(F)F	100000	nM
P56817	CHEMBL3287407	COc1cc2O[C@H]3COc4c(OC)cccc4[C@]3(O)C(=O)c2c(O)c1C	62210	nM
P56817	CHEMBL3586134	NC1=NC2CCCCC2CS1	4000000	nM
P56817	CHEMBL3414704	COC[C@@H]1CSC(=N[C@]1(C)c2ccc(F)cc2F)N	88000	nM
P56817	CHEMBL3604596	CCC[C@H](NC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	56000	nM
P56817	CHEMBL3604597	CCC[C@H](NC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	64000	nM
P56817	CHEMBL3604698	CCC[C@H](NC[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	72000	nM
P56817	CHEMBL3604700	CCC[C@H](N(C)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	680000	nM
P56817	CHEMBL3604599	CCC[C@H](NC[C@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	2000000	nM
P56817	CHEMBL3604601	CCC[C@H](NC(C)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	1000000	nM
P56817	CHEMBL3604602	CCC[C@H](N(C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	1000000	nM
P56817	CHEMBL3688768	COc1cnc2c(Nc3ccc(F)c(c3)[C@@]4(CF)N=C(N)O[C@@H]5C[C@H]45)ncc(F)c2c1	430000	nM
P56817	CHEMBL3653365	CC1(COCC(=N1)N)c2cccc(NC(=O)c3cccnc3)c2	60000	nM
P56817	CHEMBL3691375	NC1=N[C@]2(COCC[C@H]2CS1)c3ccccc3OC(F)(F)F	87900	nM
P56817	CHEMBL3653709	CC1=NC2(CCCc3ccc(Br)cc23)N=C1N	75600	nM
P56817	CHEMBL3703205	NC1=NC2(CO1)c3cc(Br)ccc3OCC24CCCO4	138000	nM
P56817	CHEMBL3703205	NC1=NC2(CO1)c3cc(Br)ccc3OCC24CCCO4	73300	nM
P56817	CHEMBL3604695	CCC[C@H](NC(=O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	480000	nM
P56817	CHEMBL3604696	CCC[C@H](NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	870000	nM
P56817	CHEMBL3604600	CCC[C@H](NC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	1000000	nM
P56817	CHEMBL3604604	CCC[C@H](NC(=O)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	1000000	nM
P56817	CHEMBL3604603	CCC[C@H](NC(=O)[C@@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)O	870000	nM
P56817	CHEMBL3703292	NC1=NC2(CO1)c3cc(ccc3OCC24CCCO4)c5cncnc5	64100	nM
P56817	CHEMBL3703306	NC1=NC2(COC1)c3cc(Br)ccc3OCC24COC4	68300	nM
P56817	CHEMBL3703206	NC1=NC2(CO1)c3cc(Br)ccc3OCC24COC4	59600	nM
P56817	CHEMBL3703267	Cc1cn2ccc(cc2n1)c3ccc4OC5(CCC5)C6(COC6)C7(COC(=N7)N)c4c3	135000	nM
P56817	CHEMBL3640021	Cc1cn2cc(ccc2n1)c3ccc4OC5(CCC5)C6(COC6)C7(COC(=N7)N)c4c3	96500	nM
P56817	CHEMBL3703213	NC1=NC2(CO1)c3cc(Br)ccc3OCC24CCC4	61300	nM
P56817	CHEMBL3703217	NC1=NC2(CO1)c3cc(Br)ccc3OC(C4CC4)C25COC5	81300	nM
P56817	CHEMBL3703242	Cc1cc(ccn1)c2ccc3OCC4(COC4)C5(COC(=N5)N)c3c2	55400	nM
P56817	CHEMBL3653362	CC1(COCC(=N1)N)c2cccc(NC(=O)C3CCCCC3)c2	130000	nM
P56817	CHEMBL3653363	CC1(COCC(=N1)N)c2cccc(NC(=O)C3CCC(F)(F)CC3)c2	130000	nM
P56817	CHEMBL3691371	COc1ccccc1[C@]23COCC[C@H]2CSC(=N3)N	100000	nM
P56817	CHEMBL3691372	NC1=N[C@@]2(COCC[C@@H]2CS1)c3ccc(F)cc3F	100000	nM
P56817	CHEMBL3653701	CC1=NC2(CC(Oc3ccc(Br)cc23)C4CCCOC4)N=C1N	65300	nM
P56817	CHEMBL3650819	NC1=NC2(CO1)c3cc(Br)ccc3OCC24CC(F)(F)C4	50600	nM
P56817	CHEMBL3650844	NC1=NC2(c3cc(Br)ccc3OCC24CC4)C(F)(F)CO1	55800	nM
P56817	CHEMBL3656180	CO[C@@H]1CC[C@@]2(CC1)Cc3ccc(Br)cc3C24CC(=O)N(C)C(=N4)N	200000	nM
P52732	CHEMBL229012	OC(=O)c1c2CCCCc2sc1NC(=O)c3cccs3	100000	nM
P52732	CHEMBL376365	CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc3ccccc13	100000	nM
P52732	CHEMBL388098	CCN(CC)C(=O)c1c2CCCCc2sc1NC(=O)c3cncs3	76000	nM
P52732	CHEMBL228328	CCC1CCc2c(C1)sc(NC(=O)c3cccs3)c2C(=O)N(CC)CC	69000	nM
P52732	CHEMBL228688	CCN(CC)C(=O)c1ccsc1NC(=O)c2cccs2	100000	nM
P52732	CHEMBL228384	CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc3CNCCc13	100000	nM
P52732	CHEMBL375015	CCOC(=O)c1c2CCCCc2sc1NC(=O)c3cccs3	100000	nM
P52732	CHEMBL229013	NC(=O)c1c2CCCCc2sc1NC(=O)c3cccs3	100000	nM
P06239	CHEMBL223360	Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)c3cccc4[nH]nc(N)c34)c1	500000	nM
P06239	CHEMBL100446	OC(=O)c1cc(ccc1O)c2ccc3c(O)ccc(O)c3c2	65000	nM
P06239	CHEMBL421565	Cn1cc(C2=C(C(=O)NC2=O)c3c4CC(CN)CCn4c5ccccc35)c6ccccc16	100000	nM
P06239	CHEMBL414159	C[C@@H]([C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)c4ccc5ccccc5c4	220000	nM
P06239	CHEMBL404595	CC(=O)N[C@H]1C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](Cc4ccccc4)C(=O)N[C@H](CSSC1(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N	800000	nM
P06239	CHEMBL1202927	Cl.CN(C)CC1CCn2c(C1)c(C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45)c6ccccc26	100000	nM
P06239	CHEMBL102336	OC(=O)c1cc(ccc1O)c2ccc3ccccc3c2	200000	nM
P06239	CHEMBL543669	Cl.COc1cc2ncnc(N(C)c3ccccc3)c2cc1OC	100000	nM
P06239	CHEMBL1642294	Cc1ccc(cc1)c2cn(nn2)C3CCCCC3=O	100000	nM
P06239	CHEMBL316764	OC(=O)c1cc(ccc1O)\N=C\c2cc(O)ccc2O	85000	nM
P06239	CHEMBL17637	CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)NCCCNC(=O)c2ccc(cc2)N3N=C(C)CC3=O	53000	nM
P06239	CHEMBL40583	Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25	55452	nM
P06239	CHEMBL584	Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C	79166	nM
P06239	CHEMBL262212	C[C@@H]([C@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)c4ccc5ccccc5c4	470000	nM
P06239	CHEMBL413670	C[C@H]([C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)c4ccc5ccccc5c4	260000	nM
P06239	CHEMBL103684	OC(=O)c1cc(ccc1O)c2ccc3cc(O)c(O)cc3c2	150000	nM
P06239	CHEMBL412218	C[C@H]([C@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)c4ccc5ccccc5c4	260000	nM
P06239	CHEMBL2420909	C1CCC2(CCN(CC2)c3ncnc4[nH]cnc34)NC1	113000	nM
P00742	CHEMBL388161	CNc1ccc(c(c1)C(=O)Nc2cccc(c2)C(=O)N)c3ccc(cc3C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N	200000	nM
P00742	CHEMBL213434	CC1(C)OB(OC1(C)C)c2ccc(NC(=N)N)cc2.OC(=O)C(F)(F)F	129000	nM
P00742	CHEMBL242501	Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)N(Cc3ccc4ccc(cc4c3)C(=N)N)S(=O)(=O)C	100000	nM
P00742	CHEMBL241910	CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(=N)N)C3CCN(CC3)S(=O)(=O)C	100000	nM
P00742	CHEMBL396028	CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(=N)N)C3CCNCC3	100000	nM
P00742	CHEMBL243591	CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(=N)N)C3CCN(CC3)S(=O)(=O)c4c(Cl)cccc4Cl	100000	nM
P00742	CHEMBL183969	Clc1ccc(s1)C(=O)NCC(=O)Nc2ccc(cc2)N3CCOCC3=O	700000	nM
P00742	CHEMBL208638	NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1	100000	nM
P00742	CHEMBL368684	CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O	100000	nM
P00742	CHEMBL184653	CC(C)C[C@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc2ccc(cc2)N3CCOCC3=O	130000	nM
P00742	CHEMBL243368	CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(=N)N)C3CCN(CC3)C(=O)c4cccc(Cl)c4	100000	nM
P00742	CHEMBL243370	CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(=N)N)C3CCN(CC3)C(=O)c4cccc(c4)C#N	100000	nM
P00742	CHEMBL360856	CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc2ccc(cc2)N3CCOCC3=O	66000	nM
P00742	CHEMBL375051	CNc1ccc(c(c1)C(=O)Nc2cccc(c2)C(=O)N)c3ccc(cc3C(=O)O)C(=O)NCC(C)C	200000	nM
P00742	CHEMBL184686	C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc2ccc(cc2)N3CCOCC3=O	59000	nM
P00742	CHEMBL384180	CC1(C)OB(OC1(C)C)c2ccc(CN=C(N)N)cc2	200000	nM
P00742	CHEMBL194618	CC(CCc1ccccc1)Nc2c(F)c(Oc3cccc(c3)C(=N)N)nc(Oc4ccc(cc4C(=O)O)C(=O)NC(C)(C)CO)c2F.OC(=O)C(F)(F)F	59000	nM
P00742	CHEMBL364066	CC(CCc1ccccc1)Nc2c(F)c(Oc3cccc(c3)C(=N)N)nc(Oc4ccccc4C(=O)O)c2F	55000	nM
P00742	CHEMBL215135	NC(=N)NCc1ccc(cc1)B(O)O.OC(=O)C(F)(F)F	200000	nM
P00742	CHEMBL215750	CC1(C)OB(OC1(C)C)c2ccc(CCN=C(N)N)cc2.OC(=O)C(F)(F)F	175400	nM
P00742	CHEMBL376806	CNc1ccc(c(c1)C(=O)Nc2cccc(c2)C(=O)N)c3ccc(cc3C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O	200000	nM
P00742	CHEMBL426187	CNc1ccc(c(c1)C(=O)Nc2ccc(CN)cc2)c3ccc(cc3C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N	200000	nM
P00742	CHEMBL193709	C[C@H](CCc1ccccc1)Nc2c(F)c(Oc3cccc(c3)C(=N)N)nc(Oc4ccccc4C(=O)O)c2F	51000	nM
P00742	CHEMBL1812010	[Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)cc12	300000	nM
P00742	CHEMBL2040953	Clc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OCc4ccccc4)cc1	500000	nM
P00742	CHEMBL2040956	O=C(Nc1ccc(cc1)N2CCN(CC2)C(=O)c3cccs3)[C@@H]4Cc5ccccc5CN4C(=O)OCc6ccccc6	500000	nM
P00742	CHEMBL2040988	CN(C(=O)[C@H]1CCCCN1C(=O)c2ccc(Cl)s2)c3ccc(cc3)N4CCCCC4=O	99000	nM
P00742	CHEMBL2040960	CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c3ccc(Cl)cc3)c4ccc(cc4)N5CCCCC5=O	197000	nM
P00742	CHEMBL2040967	CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc3ccc(cc3)C(F)(F)F)c4ccc(cc4)N5CCCCC5=O	335000	nM
P00742	CHEMBL2040971	CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc3oc(cn3)c4ccc(Cl)cc4)c5ccc(cc5)N6CCCCC6=O	103000	nM
P00742	CHEMBL2040961	CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c3ccc(C)cc3)c4ccc(cc4)N5CCCCC5=O	209000	nM
P00742	CHEMBL2040954	O=C(Nc1ccc(cc1)N2CCCCC2)[C@@H]3Cc4ccccc4CN3C(=O)OCc5ccccc5	500000	nM
P00742	CHEMBL2040955	CC(=O)N1CCN(CC1)c2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)OCc5ccccc5)cc2	500000	nM
P00742	CHEMBL2040957	CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c3ccc(cc3)N4CCCCC4=O	221000	nM
P00742	CHEMBL2158198	OS(=O)(=O)OC[C@H]1O[C@@H](Oc2ccc3C(=O)c4ccc(O[C@@H]5O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OS(=O)(=O)O)cc4Oc3c2)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O	740000	nM
P00742	CHEMBL2158201	Oc1c([C@@H]2O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)c(OS(=O)(=O)O)cc3Oc4cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc4C(=O)c13	970000	nM
P00742	CHEMBL2040966	CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)N5CCCCC5=O	85000	nM
P00742	CHEMBL2040959	CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c3ccc(Cl)s3)c4ccc(cc4)N5CCCCC5=O	56000	nM
P00742	CHEMBL2040986	CN(C(=O)[C@H]1CCCN(C1)C(=O)Cc2ccc(Cl)cc2)c3ccc(cc3)N4CCCCC4=O	371000	nM
P00742	CHEMBL2040987	CN(C(=O)[C@@H]1CCCCN1C(=O)c2ccc(Cl)s2)c3ccc(cc3)N4CCCCC4=O	358000	nM
P00742	CHEMBL2040968	COc1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c4ccc(cc4)N5CCCCC5=O)cc1OC	246000	nM
P00742	CHEMBL2040975	COc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c4ccc(cc4)N5CCOCC5=O)cc1	190000	nM
P00742	CHEMBL2040976	CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c3cc(cs3)c4ccc(Br)cc4)c5ccc(cc5)N6CCOCC6=O	500000	nM
P00742	CHEMBL2040977	COc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c4ccc(cc4)N5CCOCC5=O)c(OC)c1	500000	nM
P00742	CHEMBL2040980	CN(C(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc3ccc(cc3)C(F)(F)F)c4ccc(cc4)N5CCCCC5=O	311000	nM
P00742	CHEMBL2040852	CN(C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc3ccc(Cl)cc3)c4ccc(cc4)N5CCCCC5=O	151000	nM
P00742	CHEMBL2040985	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc2ccc(Cl)cc2)c3ccc(cc3)N4CCCCC4=O	54000	nM
P00742	CHEMBL2040989	CN(C(=O)[C@@H]1CCCN(C1)C(=O)c2ccc(Cl)s2)c3ccc(cc3)N4CCCCC4=O	69000	nM
P00742	CHEMBL3115894	NC(=N)c1ccc(CNC(=O)C(CCC2CCNCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O)O)cc1	130000	nM
P00742	CHEMBL3359897	[Na+].COc1cc2occ(C(=O)OC(C)(C)C)c2cc1OCc3nc4ccc(OS(=O)(=O)[O-])cc4s3	352000	nM
P00742	CHEMBL3330468	Clc1cccc2cc(sc12)C(=O)NC[C@@H]3OC(=O)N4[C@H]3COc5cc(ccc45)N6CCOCC6=O	100000	nM
P00742	CHEMBL3330474	ClC(Cl)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc3cc(ccc23)N4CCOCC4=O	52690	nM
P00742	CHEMBL3330481	Clc1ccc(NC(=O)[C@@H]2OC(=O)N3[C@H]2COc4cc(ccc34)N5CCOCC5=O)nc1	100000	nM
P00742	CHEMBL3330471	Clc1cccc2sc(cc12)C(=O)NC[C@@H]3OC(=O)N4[C@H]3COc5cc(ccc45)N6CCOCC6=O	100000	nM
P00742	CHEMBL3330480	Clc1ccc(NC(=O)[C@@H]2OC(=O)N3[C@H]2COc4cc(ccc34)N5CCOCC5=O)s1	100000	nM
P00742	CHEMBL3330473	ClCCSCC(=O)NC[C@@H]1OC(=O)N2[C@H]1COc3cc(ccc23)N4CCOCC4=O	100000	nM
P00742	CHEMBL3359902	[Na+].CCOC(=O)c1c(Cc2ccccc2)oc3cc(OC)c(OCc4[nH]c5ccc(OS(=O)(=O)[O-])cc5c4C(=O)OCC)cc13	195000	nM
P00742	CHEMBL3330472	Clc1ccc2c(Cl)c(sc2c1)C(=O)NC[C@@H]3OC(=O)N4[C@H]3COc5cc(ccc45)N6CCOCC6=O	100000	nM
P00742	CHEMBL3359903	[Na+].CCOC(=O)c1c(C)[nH]c2ccc(OCc3c(C(=O)OCC)c4cc(OS(=O)(=O)[O-])ccc4n3C(=O)OC(C)(C)C)cc12	229000	nM
P00742	CHEMBL3359904	[Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5[nH]c6ccc(OS(=O)(=O)[O-])cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12	344000	nM
P00742	CHEMBL3577334	CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](CCCCN)C(=O)O	100000	nM
P00742	CHEMBL3740183	CCCCNC(=O)c1ccn2c(NCc3ccc(NC(=N)N)cc3)cnc2c1	100000	nM
P00742	CHEMBL3740904	NC(=N)Nc1ccc(CNc2cnc3cc(ccn23)C(=O)NCCO)cc1	51580	nM
P00742	CHEMBL1179439	NCCCC(NC(=O)OCc1ccccc1)P(=O)(Oc2ccccc2)Oc3ccccc3	250000	nM
P00749	CHEMBL238707	NC(=N)c1ccc(cc1)C(NC(=O)OCc2ccccc2)P(=O)(Oc3ccccc3)Oc4ccccc4	60000	nM
P00749	CHEMBL245163	Cc1ccccc1C(=O)n2cc(Br)cn2	51200	nM
P00749	CHEMBL1172449	CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc3ccccc3)N4[C@H](O)CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC1=O)C4=O)C(C)C	605000	nM
P00749	CHEMBL1945241	COc1ccc2cc(ccc2c1)C(=O)Nc3ccccc3	62000	nM
P00749	CHEMBL1945663	OC(=O)c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3	62000	nM
P00749	CHEMBL1945237	O=C(Nc1ccccc1)c2ccc3cc(ccc3c2)C#N	62000	nM
P00749	CHEMBL1945240	Nc1ccc2cc(ccc2c1)C(=O)Nc3ccccc3	62000	nM
P00749	CHEMBL1945919	COc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3)c4cccc(c4)C(=O)N	62000	nM
P00749	CHEMBL1945921	COc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3)c4cccc(Cl)c4	62000	nM
P00749	CHEMBL1945239	Brc1ccc2cc(ccc2c1)C(=O)Nc3ccccc3	62000	nM
P00749	CHEMBL1945242	COC(=O)c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3	62000	nM
P00749	CHEMBL1945763	OC(=O)c1cccc(c1)c2ccc(NC(=O)c3ccc4cc(ccc4c3)C#N)cc2	250000	nM
P00749	CHEMBL1945924	COc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3)c4cccc(N)c4	62000	nM
P00749	CHEMBL1945920	COc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3)c4cccc(F)c4	62000	nM
P00749	CHEMBL1945238	O=C(Nc1ccccc1)c2ccc3ccccc3c2	62000	nM
P00749	CHEMBL3238370	Cn1c(CN2C(=O)CN(C2=O)c3cccc(c3)C#N)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3233153	Cn1c(CN2CC(=O)N(CC2=O)c3ccc(Oc4ccccc4)cc3)cc5cnc(nc15)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238376	Cn1c(CN2C(=O)CN(C2=O)c3ccc(OCc4ccncc4)cc3)cc5cnc(nc15)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3233151	Cn1c(CN2CN(CC2=O)c3ccc(F)cc3)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3233152	Cn1c(CN2CN(CC2=O)c3ccc(Oc4ccccc4)cc3)cc5cnc(nc15)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3238364	CCCc1ccc(cc1)N2CC(=O)N(Cc3cc4cnc(nc4n3C)C(=O)N[C@@H](CCCCN)C#N)C2=O	1000000	nM
P00749	CHEMBL3238365	Cn1c(CN2C(=O)CN(C2=O)c3ccc(cc3)S(=O)(=O)N)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	400000	nM
P00749	CHEMBL3238361	CN1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O	1000000	nM
P00749	CHEMBL3238367	Cn1c(CN2C(=O)CN(C2=O)c3ccc(cc3)C#N)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238362	Cn1c(CN2C(=O)CN(C2=O)c3ccc(F)cc3)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3238362	Cn1c(CN2C(=O)CN(C2=O)c3ccc(F)cc3)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238363	COc1ccc(cc1)N2CC(=O)N(Cc3cc4cnc(nc4n3C)C(=O)N[C@@H](CCCCN)C#N)C2=O	1000000	nM
P00749	CHEMBL3238377	Cn1c(CN2C(=O)CN(C2=O)c3ccc(Oc4ccc5ncccc5c4)cc3)cc6cnc(nc16)C(=O)N[C@@H](CCCCN)C#N	400000	nM
P00749	CHEMBL3238379	Cn1c(CN2C(=O)CN(C2=O)c3ccc(Oc4ccccc4)c(c3)C(=O)N)cc5cnc(nc15)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238373	Cn1c(CN2C(=O)CN(C2=O)c3ccc(OCC#N)cc3)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238375	COc1ccc(Oc2ccc(cc2)N3CC(=O)N(Cc4cc5cnc(nc5n4C)C(=O)N[C@@H](CCCCN)C#N)C3=O)cc1	400000	nM
P00749	CHEMBL3233150	Cn1c(CN2C(=O)CN(C2=O)c3ccc(OCc4ccncc4)c(c3)C(=O)N)cc5cnc(nc15)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238366	Cn1c(CN2C(=O)CN(C2=O)c3ccc(cc3)C(=O)N)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238368	Cn1c(CN2C(=O)CN(C2=O)c3cccc(c3)S(=O)(=O)N)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238372	Cn1c(CN2C(=O)CN(C2=O)c3ccc(OCC(=O)N)cc3)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238374	Cn1c(CN2C(=O)CN(C2=O)c3ccc(Oc4ccccc4)cc3)cc5cnc(nc15)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3238374	Cn1c(CN2C(=O)CN(C2=O)c3ccc(Oc4ccccc4)cc3)cc5cnc(nc15)C(=O)N[C@@H](CCCCN)C#N	400000	nM
P00749	CHEMBL3238378	Cn1c(CN2C(=O)CN(C2=O)c3ccc(Oc4ccccc4C(=O)N)cc3)cc5cnc(nc15)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238369	Cn1c(CN2C(=O)CN(C2=O)c3cccc(c3)C(=O)N)cc4cnc(nc14)C(=O)N[C@@H](CCCCN)C#N	1000000	nM
P00749	CHEMBL3238371	CC(=O)COc1ccc(cc1)N2CC(=O)N(Cc3cc4cnc(nc4n3C)C(=O)N[C@@H](CCCCN)C#N)C2=O	1000000	nM
P00749	CHEMBL3317857	OB1O[C@H](CC(=O)O)CC[C@@H]1NC(=O)Cc2cccs2	1000000	nM
P00749	CHEMBL3585742	Cn1c(CN2C(=O)CN(C2=O)c3ccc(F)cc3)nc4ccc(cc14)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3585742	Cn1c(CN2C(=O)CN(C2=O)c3ccc(F)cc3)nc4ccc(cc14)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3585745	Cn1c(CN2C(=O)CN(C2=O)c3ccc(Oc4ccncc4)cc3)cc5cnc(nc15)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3585746	Cn1c(CN2C(=O)CN(C2=O)c3ccc(Oc4ccncc4)cc3)nc5ccc(cc15)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3740414	Clc1ccc(OCCNc2cnc3ccccn23)c(Cl)c1	250000	nM
P00749	CHEMBL3740528	NC(=N)NCCCCNc1cnc2ccccn12	200000	nM
P00749	CHEMBL3741860	NCCOc1ccc(Nc2cnc3ccccn23)cc1	1000000	nM
P00749	CHEMBL3740983	NCCOc1c(Cl)cc(Nc2cnc3ccccn23)cc1Cl	500000	nM
P00749	CHEMBL3741382	NCc1ccc(Nc2cnc3ccccn23)cc1	500000	nM
P00749	CHEMBL3740839	NC[C@@H]1CC[C@H](CC1)Nc2cnc3ccccn23	500000	nM
P00749	CHEMBL3741137	NC(=N)Nc1ccc(CNc2c(nc3ccccn23)c4cccnc4)cc1	250000	nM
P00749	CHEMBL3739939	CCc1ccc(cc1)c2nc3ccccn3c2NCc4ccc(NC(=N)N)cc4	63920	nM
P00749	CHEMBL3741372	NC(=N)Nc1ccc(CNc2c(nc3ccccn23)C4CCNCC4)cc1	250000	nM
P00749	CHEMBL3741486	NC(=N)Nc1ccc(CNc2c(nc3ccccn23)c4cc(Cl)cc(Cl)c4)cc1	99160	nM
P00749	CHEMBL3740693	NC(=N)Nc1ccc(CNc2c(nc3ccccn23)c4cccc(F)c4)cc1	100000	nM
P00749	CHEMBL3739666	NC(=N)Nc1ccc(CNc2c(nc3ccccn23)c4ccc(F)cc4)cc1	125000	nM
P00749	CHEMBL3740173	CCc1nc2ccccn2c1NCCc3ccc(NC(=N)N)cc3	150000	nM
P00749	CHEMBL3740795	NC(=N)Nc1ccc(CCNc2c(nc3cnccn23)c4cccc(Cl)c4)cc1	53780	nM
P00749	CHEMBL3739955	NC(=N)Nc1ccc(CNc2c(nc3ccc(cn23)C(F)(F)F)c4cccnc4)cc1	200000	nM
P00749	CHEMBL3740195	NC(=N)Nc1ccc(CNc2c(nc3ccc(F)cn23)c4cccnc4)cc1	57550	nM
P00749	CHEMBL3741341	CCCCNC(=O)c1ccc2nc(c3cccnc3)c(NCc4ccc(NC(=N)N)cc4)n2c1	60840	nM
P00749	CHEMBL3752312	CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]2CC[C@@H](CN)CC2	62000	nM
P00749	CHEMBL3752907	CCCCCCCCNC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@@H]2CC[C@@H](CN)CC2	100000	nM
P00749	CHEMBL3753071	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H]3CC[C@@H](CN)CC3	100000	nM
P00749	CHEMBL3752269	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)[N+](=O)[O-])cc1)NC(=O)[C@@H]3CC[C@@H](CN)CC3	100000	nM
P00749	CHEMBL3752299	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(N)c2)cc1)NC(=O)[C@@H]3CC[C@@H](CN)CC3	100000	nM
P00749	CHEMBL3753322	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2C(F)(F)F)cc1)NC(=O)[C@@H]3CC[C@@H](CN)CC3	100000	nM
P00749	CHEMBL3753340	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(F)(F)F)cc1)NC(=O)[C@@H]3CC[C@@H](CN)CC3	100000	nM
P00749	CHEMBL3752559	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)NC(=O)[C@@H]3CC[C@@H](CN)CC3	100000	nM
P00749	CHEMBL3753392	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2C(=O)OC)cc1)NC(=O)[C@@H]3CC[C@@H](CN)CC3	200000	nM
P00749	CHEMBL3754802	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(=O)OCC)cc1)NC(=O)[C@@H]3CC[C@@H](CN)CC3	200000	nM
P00749	CHEMBL3752906	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(=O)O)cc1)NC(=O)[C@@H]3CC[C@@H](CN)CC3	100000	nM
P00749	CHEMBL3754642	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc3ccccc23)cc1)NC(=O)[C@@H]4CC[C@@H](CN)CC4	100000	nM
P00749	CHEMBL3754274	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)NC(=O)[C@@H]4CC[C@@H](CN)CC4	100000	nM
P00749	CHEMBL3752600	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc3cccnc23)cc1)NC(=O)[C@@H]4CC[C@@H](CN)CC4	100000	nM
P00749	CHEMBL3752964	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc3ccccc3n2)cc1)NC(=O)[C@@H]4CC[C@@H](CN)CC4	77000	nM
P00749	CHEMBL3752061	CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)c3ccccc3)cc1)NC(=O)[C@@H]4CC[C@@H](CN)CC4	100000	nM
P00749	CHEMBL1179439	NCCCC(NC(=O)OCc1ccccc1)P(=O)(Oc2ccccc2)Oc3ccccc3	250000	nM
P00749	CHEMBL3799135	C[C@H](N1C(=O)CN(C1=O)c2ccc(F)cc2)c3nc4ccc(cc4n3C)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3799329	C[C@@H](N1C(=O)CN(C1=O)c2ccc(F)cc2)c3nc4ccc(cc4n3C)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3800112	C[C@H](N1C(=O)CN(C1=O)c2ccc(Oc3ccncc3)cc2)c4nc5ccc(cc5n4C)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3799182	C[C@@H](N1C(=O)CN(C1=O)c2ccc(Oc3ccncc3)cc2)c4nc5ccc(cc5n4C)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3799525	C[C@H](N1C(=O)CN(C1=O)c2ccc(Oc3ccccc3)cc2)c4nc5ccc(cc5n4C)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3800020	C[C@@H](N1C(=O)CN(C1=O)c2ccc(Oc3ccccc3)cc2)c4nc5ccc(cc5n4C)C(=O)N[C@@H](CCCCN)C#N	160000	nM
P00749	CHEMBL3797774	CC(C)[C@H](N1C(=O)CN(C1=O)c2ccc(Oc3ccccc3)cc2)c4nc5ccc(cc5n4C)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3799985	CC(C)[C@@H](N1C(=O)CN(C1=O)c2ccc(Oc3ccccc3)cc2)c4nc5ccc(cc5n4C)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3798282	CC[C@@H](C)[C@@H](N1C(=O)CN(C1=O)c2ccc(Oc3ccccc3)cc2)c4nc5ccc(cc5n4C)C(=O)N[C@@H](CCCCN)C#N	200000	nM
P00749	CHEMBL3800401	CC(C)C[C@@H](N1C(=O)CN(C1=O)c2ccc(Oc3ccccc3)cc2)c4nc5ccc(cc5n4C)C(=O)N[C@@H](CCCCN)C#N	150000	nM
P11362	CHEMBL327300	COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC	100000	nM
P11362	CHEMBL2407517	CCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23	100000	nM
P11362	CHEMBL2407516	CN(C)CCNCCNc1ccc2C(=O)N(C)C(=O)c3cccc1c23	100000	nM
P11362	CHEMBL2407635	CCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23	100000	nM
P11362	CHEMBL2407519	CCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23	100000	nM
P11362	CHEMBL2407518	CCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23	100000	nM
Q05769	CHEMBL134774	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4cccc5ccccc45	263026799189.54	nM
Q05769	CHEMBL423892	CS(=O)(=O)c1ccc(cc1)C2=C(C(=S)c3ccccc3O2)c4ccc(F)cc4	13803842646028.9	nM
Q05769	CHEMBL435189	NS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4ccccc4	9332543007969.92	nM
Q05769	CHEMBL132562	CSc1ccc(cc1)C2=C(Oc3ccccc3C2=O)c4ccc(cc4)S(=O)(=O)N	3548133892335.76	nM
Q05769	CHEMBL134628	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4ccc(Cl)c(Cl)c4	3715352290971.73	nM
Q05769	CHEMBL602237	CCCCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccccc3	85000	nM
Q05769	CHEMBL602237	CCCCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccccc3	88000	nM
Q05769	CHEMBL600167	COc1ccc(cc1)n2c(C)c(CC(=O)OC(C)C)cc2c3ccc(cc3)S(=O)(=O)C	88000	nM
Q05769	CHEMBL600167	COc1ccc(cc1)n2c(C)c(CC(=O)OC(C)C)cc2c3ccc(cc3)S(=O)(=O)C	100000	nM
Q05769	CHEMBL589410	Cc1c(CC(=O)O)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)c(F)c3	70000	nM
Q05769	CHEMBL589410	Cc1c(CC(=O)O)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)c(F)c3	98000	nM
Q05769	CHEMBL589087	CCCCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccc(F)c(F)c3	86000	nM
Q05769	CHEMBL589087	CCCCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccc(F)c(F)c3	90000	nM
Q05769	CHEMBL589812	CC(C)OC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3cccc(F)c3	85000	nM
Q05769	CHEMBL589812	CC(C)OC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3cccc(F)c3	91000	nM
Q05769	CHEMBL134512	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4ccc(F)cc4	4897788193684.46	nM
Q05769	CHEMBL334335	NS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4ccc5OCOc5c4	1071519305237.6	nM
Q05769	CHEMBL132190	CS(=O)(=O)c1ccc(cc1)C2=C(C(=S)c3ccccc3O2)c4ccccc4F	5128613839913.66	nM
Q05769	CHEMBL69026	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4ccccc4F	13182567385564.1	nM
Q05769	CHEMBL133065	NS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4ccc(F)cc4	7943282347242.82	nM
Q05769	CHEMBL605820	CC(C)OC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccccc3	100000	nM
Q05769	CHEMBL605820	CC(C)OC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccccc3	100000	nM
Q05769	CHEMBL589166	CCCCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccc(OC)cc3	89000	nM
Q05769	CHEMBL589166	CCCCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccc(OC)cc3	92000	nM
Q05769	CHEMBL133787	COc1ccc(cc1)C2=C(Oc3ccccc3C2=O)c4ccc(cc4)S(=O)(=O)C	1949844599758.04	nM
Q05769	CHEMBL600844	CCCCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3cccc(F)c3	87000	nM
Q05769	CHEMBL600844	CCCCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3cccc(F)c3	100000	nM
Q05769	CHEMBL335024	COc1ccc(cc1)C2=C(Oc3ccccc3C2=O)c4ccc(cc4)S(=O)(=O)N	2570395782768.86	nM
Q05769	CHEMBL133421	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4cccc(Cl)c4	2754228703338.16	nM
Q05769	CHEMBL334520	COc1ccc(cn1)C2=C(Oc3ccccc3C2=O)c4ccc(cc4)S(=O)(=O)C	436515832240.17	nM
Q05769	CHEMBL133660	CS(=O)(=O)c1ccc(cc1)C2=C(C(=S)c3ccccc3O2)c4ccc(Cl)c(Cl)c4	1905460717963.24	nM
Q05769	CHEMBL132371	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4cccc(F)c4	1862087136662.87	nM
Q05769	CHEMBL192678	Cc1c(CC(=O)O)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccccc3	100000	nM
Q05769	CHEMBL336206	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4ccc(Cl)cc4	2951209226666.39	nM
Q05769	CHEMBL604781	COc1ccc(cc1)n2c(C)c(CC(=O)O)cc2c3ccc(cc3)S(=O)(=O)C	62000	nM
Q05769	CHEMBL604781	COc1ccc(cc1)n2c(C)c(CC(=O)O)cc2c3ccc(cc3)S(=O)(=O)C	90000	nM
Q05769	CHEMBL1165011	CN1N(C(=O)C(=C1C)N)c2ccccc2	1000000	nM
Q05769	CHEMBL132721	NS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4ccccc4F	5623413251903.49	nM
Q05769	CHEMBL133507	COc1ccc(cc1)C2=C(Oc3ccccc3C2=S)c4ccc(cc4)S(=O)(=O)C	7079457843841.37	nM
Q05769	CHEMBL191941	CCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccccc3	79000	nM
Q05769	CHEMBL191941	CCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccccc3	84000	nM
Q05769	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	80000	nM
Q05769	CHEMBL118	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	95000	nM
Q05769	CHEMBL336354	Cc1ccccc1C2=C(Oc3ccccc3C2=O)c4ccc(cc4)S(=O)(=O)C	1047128548050.9	nM
Q05769	CHEMBL134756	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4ccc(Cl)cc4Cl	2754228703338.16	nM
Q05769	CHEMBL422623	CS(=O)(=O)c1ccc(cc1)C2=C(C(=S)c3ccccc3O2)c4ccccc4	9772372209558.11	nM
Q05769	CHEMBL133659	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4ccccc4	1071519305237.6	nM
Q05769	CHEMBL1164701	CNC1=C(C)N(C)N(C1=O)c2ccccc2	307000	nM
Q05769	CHEMBL72000	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4cccnc4	758577575029.18	nM
Q05769	CHEMBL589813	CC(C)OC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccc(F)c(F)c3	85000	nM
Q05769	CHEMBL589813	CC(C)OC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccc(F)c(F)c3	90000	nM
Q05769	CHEMBL307981	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3cc(F)ccc3O2)c4cccnc4	794328234724.28	nM
Q05769	CHEMBL334774	CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)c3ccccc3O2)c4cc5ccccc5s4	3019951720402.02	nM
Q05769	CHEMBL589167	Cc1c(CC(=O)O)cc(c2ccc(cc2)S(=O)(=O)C)n1c3cccc(F)c3	89000	nM
Q05769	CHEMBL589167	Cc1c(CC(=O)O)cc(c2ccc(cc2)S(=O)(=O)C)n1c3cccc(F)c3	96000	nM
Q05769	CHEMBL1928336	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(C)C1=C(C)N(C)N(C1=O)c2ccccc2	69000	nM
P62942	CHEMBL2058798	COc1ccc(CC[C@@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)c4cccc(OCC(=O)O)c4)cc1OC	100000	nM
P62942	CHEMBL2058790	COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc1OC	100000	nM
P62942	CHEMBL2059028	COc1cc(cc(OC)c1OC)C(=O)C(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)C(=O)N(Cc3ccccc3)C(CCc4ccncc4)CCc5ccncc5	100000	nM
O76074	CHEMBL183280	OC(=O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	101000	nM
O76074	CHEMBL366149	CN(C)CCNC(=O)c1ccc(cc1)c2cc(Cl)c3NC(=O)NC4(CCCCC4)c3c2	67300	nM
O76074	CHEMBL182617	CN(C)CCCNC(=O)c1cccc(c1)c2cc(Cl)c3NC(=O)NC4(CCCCC4)c3c2	84900	nM
O76074	CHEMBL19449	CC(C)C(=O)c1c(nn2ccccc12)C(C)C	103000	nM
O76074	CHEMBL185275	NCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	73200	nM
O76074	CHEMBL185588	CN1CCN(CC1)C(=O)c2ccccc2c3cc(Cl)c4NC(=O)NC5(CCCCC5)c4c3	101000	nM
O76074	CHEMBL182536	Oc1onc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)n1	101000	nM
O76074	CHEMBL184960	CN1N=C(S/C/1=N\c2cccc(c2)C(=O)N)c3ccc(Cl)cc3	101000	nM
O76074	CHEMBL185531	CN1N=C(S/C/1=N\c2ccccc2O)c3ccc(Cl)cc3	101000	nM
O76074	CHEMBL185523	Clc1ccc(OCCN2CCOCC2)c3c1NC(=O)NC34CCCCC4	101000	nM
O76074	CHEMBL184279	Clc1ccc(OCC#N)c2c1NC(=O)NC23CCCCC3	101000	nM
O76074	CHEMBL182703	Clc1cc(cc2c1NC(=O)NC23CCCCC3)c4ccccc4	69800	nM
O76074	CHEMBL363084	CN(C)CCNC(=O)c1cccc(c1)c2cc(Cl)c3NC(=O)NC4(CCCCC4)c3c2	101000	nM
O76074	CHEMBL184701	NCCOCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	101000	nM
O76074	CHEMBL427513	CN(C)CCCNC(=O)c1ccc(cc1)c2cc(Cl)c3NC(=O)NC4(CCCCC4)c3c2	50700	nM
O76074	CHEMBL185370	CN1CCN(CC1)C(=O)c2cccc(c2)c3cc(Cl)c4NC(=O)NC5(CCCCC5)c4c3	52400	nM
O76074	CHEMBL363709	CN1N=C(S/C/1=N\c2cccc(c2)C#N)c3ccc(Cl)cc3	101000	nM
O76074	CHEMBL184013	CN(C)CC(O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	101000	nM
O76074	CHEMBL184979	CNCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	101000	nM
O76074	CHEMBL363658	OC(=O)CNCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	101000	nM
O76074	CHEMBL360627	OS(=O)(=O)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	60000	nM
O76074	CHEMBL364200	CNCC(O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	101000	nM
O76074	CHEMBL365447	OC(=O)c1oc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)cc1	101000	nM
O76074	CHEMBL359890	CCOC(=O)c1oc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)cc1	80000	nM
O76074	CHEMBL362719	CN1N=C(S/C/1=N\c2ccc(F)cc2)c3ccc(Cl)cc3	101000	nM
O76074	CHEMBL365206	CN1N=C(S/C/1=N\c2cccc(F)c2)c3ccc(Cl)cc3	101000	nM
O76074	CHEMBL184903	CN(C)CCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	74000	nM
O76074	CHEMBL361469	Clc1cc(cc2c1NC(=O)NC23CCCCC3)c4ccccn4	68400	nM
O76074	CHEMBL361512	CN1N=C(S/C/1=N\c2ccc(O)cc2)c3ccc(Cl)cc3	101000	nM
O76074	CHEMBL1079948	CCCCCC(O)c1cc(C)ccc1\C=C\CC(=O)O	87100	nM
O76074	CHEMBL1097585	CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c5ccccc5Br)C1=O	88000	nM
O76074	CHEMBL184861	Clc1ccc(OCc2nn[nH]n2)c3c1NC(=O)NC34CCCCC4	88000	nM
O76074	CHEMBL1095583	CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](N2C1=S)c5ccccc5Br	74000	nM
O76074	CHEMBL185108	CN(C)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	98000	nM
O76074	CHEMBL183965	OCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12	91000	nM
O76074	CHEMBL1779429	O=C1CC2CCc3nn4ccccc4c3C2=NN1	145000	nM
O76074	CHEMBL1779438	COc1cccc2c(C3=NNC(=O)CC3)c(nn12)C(C)C	225000	nM
O76074	CHEMBL1779439	COc1cccc2c(C3=NN(Cc4ccccc4)C(=O)CC3)c(nn12)C(C)C	400000	nM
O76074	CHEMBL1779440	CC(C)c1nn2ccccc2c1c3ccc(Cl)nn3	65000	nM
O76074	CHEMBL1779442	COc1ccc(nn1)c2c(nn3ccccc23)C(C)C	400000	nM
O76074	CHEMBL1779428	CC(C)c1nn2ccccc2c1C3=NNC(=O)C=C3C	400000	nM
O76074	CHEMBL1779434	O=C1C=C2CCc3nn4ccccc4c3C2=NN1Cc5ccccc5	400000	nM
O76074	CHEMBL1779432	CC12CCc3nn4ccccc4c3C1=NN(Cc5ccccc5)C(=O)C2	400000	nM
O76074	CHEMBL1779436	CC(C)c1nn2cccc3CC4CC(=O)N(Cc5ccccc5)N=C4c1c23	400000	nM
O76074	CHEMBL1779437	CC(C)c1nn2ccccc2c1C3=NN(Cc4ccccc4)C(=O)CC3	400000	nM
O76074	CHEMBL1779431	CC12CCc3nn4ccccc4c3C1=NNC(=O)C2	400000	nM
O76074	CHEMBL1779433	O=C1NN=C2C(=C1)CCc3nn4ccccc4c23	156000	nM
O76074	CHEMBL1779435	CC(C)c1nn2cccc3CC4CC(=O)NN=C4c1c23	350000	nM
O76074	CHEMBL1779441	CC(C)c1nn2ccccc2c1c3nnc(Cl)cc3C	400000	nM
O76074	CHEMBL1779427	CC(C)c1nn2ccccc2c1C3=NNC(=O)CC3	78000	nM
O76074	CHEMBL1777830	CC(C)c1nn2ccccc2c1C3=NNC(=O)C=C3	79000	nM
O76074	CHEMBL1779426	CC(C)c1nn2ccccc2c1C3=NNC(=O)C[C@@H]3C	400000	nM
O76074	CHEMBL1779430	O=C1CC2CCc3nn4ccccc4c3C2=NN1Cc5ccccc5	400000	nM
O76074	CHEMBL1779444	COc1ccc(C2=NNC(=O)C=C2)c3cc(nn13)C(C)C	100000	nM
O76074	CHEMBL3628685	COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1	100000	nM
Q07869	CHEMBL121	CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3	100000	nM
Q07869	CHEMBL981	CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O	106000	nM
Q07869	CHEMBL981	CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O	68000	nM
Q07869	CHEMBL2153842	CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(=O)(=O)C	68500	nM
Q07869	CHEMBL2323021	C[C@@H]1CN(CCN1S(=O)(=O)c2ccc(s2)[C@@](O)(C(=O)N)C(F)(F)F)c3ccc(F)cc3C(F)(F)F	100000	nM
Q07869	CHEMBL3781940	CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c3ccc(NC(=O)C)cc3	108000	nM
P15056	CHEMBL459500	CCN(CC)Cc1c(nnn1c2nonc2N)C(=O)N\N=C\c3occc3	100000	nM
P15056	CHEMBL459714	COc1ccccc1N2C(=O)CC(N3CCC(CC3)C(=O)N)C2=O	100000	nM
P15056	CHEMBL516655	CCN1CCN(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)CC1	100000	nM
P15056	CHEMBL462279	COc1cc(ccc1Cn2nc(C)c(c2C)[N+](=O)[O-])C3C(=C(N)OC4=C3C(=O)CCC4)C#N	100000	nM
P15056	CHEMBL509283	O=C(NC(N1CCOCC1)C(=O)c2ccccc2)c3cccs3	100000	nM
P15056	CHEMBL459515	CN1CCN(Cc2c3CCCc3c(CN4CCN(C)CC4)c5CCCc25)CC1	100000	nM
P15056	CHEMBL518187	CN1C(=O)N(C)c2nc(n(Cc3ccccc3)c2C1=O)n4nc(C)cc4C	57710	nM
P15056	CHEMBL1213975	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1	100000	nM
P15056	CHEMBL378600	CC(=O)Nc1cccc(c1)c2cncc(Nc3ccc(OC(F)(F)F)cc3)n2	84000	nM
P15056	CHEMBL200130	CC(=O)Nc1cccc(c1)c2cncc(NCCCc3ccccc3)n2	100000	nM
P15056	CHEMBL198400	COc1ccc(OCCNc2cncc(n2)c3cccc(NC(=O)C)c3)cc1	58000	nM
P15056	CHEMBL274738	CC(=O)Nc1cccc(c1)c2cncc(NCc3ccc(F)c(Cl)c3)n2	99000	nM
P15056	CHEMBL199605	CC(=O)Nc1cccc(c1)c2cncc(Nc3cccc4OC(F)(F)C(F)(F)Oc34)n2	100000	nM
P15056	CHEMBL199605	CC(=O)Nc1cccc(c1)c2cncc(Nc3cccc4OC(F)(F)C(F)(F)Oc34)n2	100000	nM
P15056	CHEMBL459715	CN1CCN(CC(=O)N2N=C(CC2c3occc3)c4cccs4)CC1	100000	nM
P15056	CHEMBL459736	COc1cc(\C=N\NC(=O)CN2CCN(CC2)c3ccc(F)cc3)ccc1O	100000	nM
P15056	CHEMBL462280	Cc1cccc(C)c1NC(=O)CSc2nnc(CN3CCOCC3)n2C	100000	nM
P15056	CHEMBL201023	COc1ccccc1Nc2cncc(n2)c3cccc(NC(=O)C)c3	74000	nM
P15056	CHEMBL433992	CC(=O)Nc1cccc(c1)c2cncc(NCc3ccccn3)n2	100000	nM
P15056	CHEMBL433992	CC(=O)Nc1cccc(c1)c2cncc(NCc3ccccn3)n2	100000	nM
P15056	CHEMBL1213923	CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)CC1	100000	nM
P15056	CHEMBL1213922	CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1	100000	nM
P15056	CHEMBL461621	COc1ccc(NC(=O)c2cnn3C(CC(Nc23)c4cccc(OC)c4)C(F)(F)F)c(OC)c1	100000	nM
P15056	CHEMBL516808	CC(=O)c1c(C)nn2c3ccccc3n(CCN4CCOCC4)c12	100000	nM
P15056	CHEMBL502945	O=C(Cn1c2ccccc2n3ncnc13)c4cccs4	100000	nM
P15056	CHEMBL518163	CN1C(=O)NC(=O)c2c1nc(N\N=C/c3ccc(cc3)[N+](=O)[O-])n2Cc4ccccc4	57890	nM
P15056	CHEMBL462046	COc1cccc(c1)N2C(=O)CC(N3CCN(Cc4ccccc4)CC3)C2=O	100000	nM
P15056	CHEMBL941	CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1	100000	nM
P15056	CHEMBL199805	CN(Nc1cncc(n1)c2cccc(NC(=O)C)c2)c3ccccc3	100000	nM
P15056	CHEMBL198348	CC(=O)Nc1cccc(c1)c2cncc(Nc3ccc(F)c(Cl)c3)n2	100000	nM
P15056	CHEMBL200964	CC(=O)Nc1cccc(c1)c2cncc(NCCOc3ccccc3)n2	65000	nM
P15056	CHEMBL199892	COc1cc(CNc2cncc(n2)c3cccc(NC(=O)C)c3)cc(OC)c1OC	100000	nM
P15056	CHEMBL516494	COc1ccc(OC)c(c1)C(O)c2coc3ccc(O)c(CN4CCOCC4)c23	100000	nM
P15056	CHEMBL516807	Cc1occ(c1)C2N(CCCn3ccnc3)C(=O)C(=C2C(=O)c4ccc5OCCOc5c4)O	100000	nM
P15056	CHEMBL462071	Cc1oc(cc1)C2CC(=NN2C(=O)CN3CCOCC3)c4ccccc4	100000	nM
P15056	CHEMBL1231605	N(c1ccccc1)c2c[nH]c3ncccc23	100000	nM
P15056	CHEMBL460344	COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c4cccc(C)n4)cc1	100000	nM
P15056	CHEMBL1934498	NC(=O)c1sc2ncnc(c3ccc(Cl)c(Cl)c3)c2c1N	60000	nM
P15056	CHEMBL2047073	CC(=O)NS(=O)(=O)c1ccc2[nH]c3cnccc3c2c1	59110	nM
P15056	CHEMBL2047061	COC(CNS(=O)(=O)c1ccc2[nH]c3c(nccc3c2c1)C(=O)N)OC	91550	nM
P15056	CHEMBL3358966	COc1cc(cc(OC)c1OC)C2=NC(=CNC2=O)c3c[nH]c4ccccc34	100000	nM
P42574	CHEMBL1427637	COc1ccc(NC2=CC3=NC4(CCCCC4)[N+](=C3C=C2)[O-])cc1	88400	nM
P42574	CHEMBL1406151	OC(=O)c1oc(COc2ccccc2[N+](=O)[O-])cc1	100000	nM
P42574	CHEMBL1385557	Cc1ccc(CNc2c(nn(c3ccc4OCCOc4c3)[n+]2[O-])[N+](=O)[O-])cc1	66550	nM
P42574	CHEMBL1405401	Fc1cccc(NC(=O)Nc2ccc3CCCc3c2)c1	57800	nM
P42574	CHEMBL1350317	CC(NC(=O)COC(=O)c1ccc(s1)[N+](=O)[O-])c2ccccc2	100000	nM
P42574	CHEMBL1413278	Oc1ccccc1\C=C\c2noc(n2)c3ccccc3O	99000	nM
P42574	CHEMBL1503365	N(c1ccccc1)c2oc(nn2)c3cccc4ccccc34	100000	nM
P42574	CHEMBL1389299	O=C1Nc2ccccc2/C/1=C\3/SC(=NC3=O)NS(=O)(=O)Cc4ccccc4	67200	nM
P42574	CHEMBL1439751	O=C(Nc1ccc(cc1)N2CCCC2)\C=C\c3occc3	100000	nM
P42574	CHEMBL1597726	Cc1nc2c(cnn2c(N)c1c3ccccc3)c4ccc(F)cc4	57700	nM
P42574	CHEMBL1457057	CN1C(=O)S\C(=C\c2ccc(OCc3cccc(c3)C(=O)O)cc2)\C1=O	88100	nM
P42574	CHEMBL1522349	CCOC(=O)C1=NN(C(=O)c2c(N)scc12)c3ccccc3C	93300	nM
P42574	CHEMBL1408715	Oc1ccc(\C=C/2\SC(=S)N(Cc3ccccc3)C2=O)cc1O	67500	nM
P42574	CHEMBL1392564	CN(C)S(=O)(=O)Oc1cccc(c1)C(=O)Nc2ccc(Cl)c(Cl)c2	52200	nM
P42574	CHEMBL1409038	O=C(N1CCCc2ccccc12)C(=O)c3c[nH]c4ccccc34	99000	nM
P42574	CHEMBL1517543	CCN(CC)c1ccc(NC2CC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1	100000	nM
P42574	CHEMBL566295	Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc3cccnc3	99000	nM
P42574	CHEMBL68442	O=C(NCCc1ccccc1)C(=O)c2c[nH]c3ccccc23	99000	nM
P42574	CHEMBL1517170	COC(=O)c1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1	99000	nM
P42574	CHEMBL1242699	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)\C=C\S(=O)(=O)C	133400	nM
P42574	CHEMBL572505	O=C(CN1CCN(Cc2ccccc2)CC1)N\N=C\c3ccccc3	100000	nM
P42574	CHEMBL233119	CC(=O)Nc1ccc(cc1)c2oc3ccc(Cl)cc3n2	54900	nM
P42574	CHEMBL1221939	NNC(=O)CN1CCN(Cc2ccccc2)CC1	100000	nM
P42574	CHEMBL1372464	[O-][N+](=O)c1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1	89900	nM
P42574	CHEMBL1392845	[O-][N+](=O)c1nn(c2ccc3OCCOc3c2)[n+]([O-])c1NCc4ccccc4Cl	100000	nM
P42574	CHEMBL1429333	COc1ccc(NC(=O)NNc2cc(nc(n2)N3CCOCC3)N4CCOCC4)cc1	100000	nM
P42574	CHEMBL1392424	Cc1c(cccc1c2oc(\C=C/3\NC(=O)N(C3=O)c4ccccc4)cc2)C(=O)O	100000	nM
P42574	CHEMBL1312888	Clc1ccccc1c2oc(cc2)C(=O)Nc3ccccc3	74300	nM
P42574	CHEMBL1378513	OC(c1ccc(OCc2ccccc2)cc1)c3oc(nn3)c4ccccc4	69200	nM
P42574	CHEMBL1471498	COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c(cc1OC)[N+](=O)[O-]	99000	nM
P42574	CHEMBL475020	COC[C@@H]1CCCN1S(=O)(=O)c2ccc3N(CCCOCCCOS(=O)(=O)C)C(=O)C(=O)c3c2	100000	nM
P42574	CHEMBL1376540	Cc1ccc(cc1C)C(=O)NC2(O)C(=O)c3ccccc3C2=O	100000	nM
P42574	CHEMBL1306211	OC(=O)c1ccc(OC2CSC2)cc1	99000	nM
P42574	CHEMBL1306211	OC(=O)c1ccc(OC2CSC2)cc1	94900	nM
P42574	CHEMBL1277150	CCCCOc1cc(NCc2ccccc2)c3ncn(C(C)C)c3c1	100000	nM
P42574	CHEMBL1582665	Nc1c(sc2nc3CCCCc3cc12)C(=O)Nc4cccc(c4)C(=O)O	71600	nM
P42574	CHEMBL522191	CCCN1CC(F)(F)c2cc(ccc12)S(=O)(=O)N3CCC[C@H]3COC	100000	nM
P42574	CHEMBL1303546	CN(C)c1ccc(NC(=O)c2ccc(Cn3cc(cn3)[N+](=O)[O-])cc2)cc1	100000	nM
P42574	CHEMBL584668	COc1ccc(c(O)c1)c2cc([nH]n2)c3ccc(C)cc3	76500	nM
P42574	CHEMBL1242328	OC(=O)C[C@H](NC(=O)OCc1ccccc1)\C=C\S(=O)(=O)c2ccccc2	453000	nM
P42574	CHEMBL1447460	OC(=O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1	100000	nM
P42574	CHEMBL1536129	CCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1	61300	nM
P42574	CHEMBL145850	Fc1ccccc1CNC(=O)C(=O)c2c[nH]c3ccccc23	99000	nM
P42574	CHEMBL1432044	Cc1ccc(NC(=O)COc2cccc(\C=C\3/SC(=S)N(CCC(=O)O)C3=O)c2)cc1Cl	99000	nM
P42574	CHEMBL1432044	Cc1ccc(NC(=O)COc2cccc(\C=C\3/SC(=S)N(CCC(=O)O)C3=O)c2)cc1Cl	70000	nM
P42574	CHEMBL1431832	Cc1ccc(Cl)c2sc(NC(=O)C3=COCCO3)nc12	63400	nM
P42574	CHEMBL591429	Oc1c(CC=C)cccc1\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2	100000	nM
P42574	CHEMBL591429	Oc1c(CC=C)cccc1\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2	75000	nM
P42574	CHEMBL591429	Oc1c(CC=C)cccc1\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2	100000	nM
P42574	CHEMBL591429	Oc1c(CC=C)cccc1\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2	100000	nM
P42574	CHEMBL591429	Oc1c(CC=C)cccc1\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2	100000	nM
P42574	CHEMBL1408953	COc1cc2cc(NC(=O)C)cc(NCc3ccccc3)c2cc1OC	99000	nM
P42574	CHEMBL1532745	Brc1cnn(Cc2oc(cc2)C(=O)Nc3sc4CCCCCCc4c3C#N)c1	99000	nM
P42574	CHEMBL1435486	CC(=O)Nc1ccc(\C=C\c2n[nH]c(n2)c3ccccc3O)cc1	55200	nM
P42574	CHEMBL1242329	CS(=O)(=O)\C=C\[C@H](CC(=O)O)NC(=O)OCc1ccccc1	434600	nM
P42574	CHEMBL1309254	COc1ccc2c(C#N)c3ccccn3c2c1	65400	nM
P42574	CHEMBL1309254	COc1ccc2c(C#N)c3ccccn3c2c1	54800	nM
P42574	CHEMBL1412738	OC(=O)c1ccc(cc1)c2nc(O)c3c(csc3n2)c4ccccc4	100000	nM
P42574	CHEMBL1482438	CCCCn1cc[n+](c1)C2=C([N-]S(=O)(=O)c3ccc(Cl)cc3)C(=O)c4ccccc4C2=O	55700	nM
P42574	CHEMBL1731096	O=C1c2ccccc2Oc3ccc(cc13)c4ccc5[nH]ccc5c4	75100	nM
P42574	CHEMBL1514860	Cc1ccc2nc(NC(=O)C3=CC(=O)c4cc(C)c(C)cc4O3)sc2c1	99000	nM
P42574	CHEMBL1221937	CN1CCN(CC(=O)N\N=C\c2ccccc2O)CC1	100000	nM
P42574	CHEMBL1221940	CCOC(=O)CN1CCN(Cc2ccccc2)CC1	100000	nM
P42574	CHEMBL1493516	COc1ccc(\C=C\c2n[nH]c(n2)c3ccccc3O)cc1OC	58800	nM
P42574	CHEMBL1732672	OC(=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCc4ccccc34)c1	90500	nM
P42574	CHEMBL1427991	Cc1cc(C)c[n+](c1)C2=C([N-]S(=O)(=O)c3cccs3)C(=O)c4ccccc4C2=O	81900	nM
P42574	CHEMBL1521296	[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCCc2ccccc2	100000	nM
P42574	CHEMBL1242611	C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)\C=C\S(=O)(=O)C	655800	nM
P42574	CHEMBL475858	COC[C@@H]1CCCN1S(=O)(=O)c2ccc3N(CCCOCCCF)C(=O)C(=O)c3c2	100000	nM
P42574	CHEMBL1456826	O=C1N(Cc2ccccc2)C(=O)c3ccccc3/C/1=C\NCCc4ccccc4	83200	nM
P42574	CHEMBL492735	COC[C@@H]1CCCN1S(=O)(=O)c2ccc3N(CCCOCCCO)C(=O)C(=O)c3c2	60900	nM
P42574	CHEMBL602561	Oc1ccccc1C(=O)NC(=O)\C=C\c2ccc(Br)cc2	100000	nM
P42574	CHEMBL1534143	Cc1ccc(\C=C\c2oc(nn2)c3cccs3)cc1	100000	nM
P42574	CHEMBL1447667	[O-][N+](=O)c1ccc(cc1)N2N=C(CC2=O)N3CCOCC3	100000	nM
P42574	CHEMBL1446989	[O-][N+](=O)c1oc(cc1)C(=O)Nc2nc3c(Cl)cccc3s2	61800	nM
P42574	CHEMBL1486906	CC1CCc2c(C1)sc(NC(=O)c3oc(Cn4cc(Br)cn4)cc3)c2C(=O)N	99000	nM
P42574	CHEMBL1554455	CCOc1ccc2nc(NC(=O)c3nc(SC(C)C)ncc3Cl)sc2c1	99000	nM
P42574	CHEMBL510279	COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)CCc2ccc(O)cc2	100000	nM
P42574	CHEMBL1501990	OC1(NC(=O)c2ccccc2)C(=O)c3ccccc3C1=O	69900	nM
P42574	CHEMBL1539876	Oc1c(ccc2ccccc12)c3cc([nH]n3)c4occc4	59700	nM
P42574	CHEMBL1700539	Cc1ccccc1NS(=O)(=O)c2cccc(c2)C(=O)Nc3cccc(c3)C(=O)O	66700	nM
P42574	CHEMBL1699684	COc1ccc(cc1)N2CCN(CC2)C(=O)C(=O)c3c(C)[nH]c4ccccc34	99000	nM
P42574	CHEMBL1495113	COc1ccc(OC)c2sc(NC(=O)c3ccc(Br)s3)nc12	99000	nM
P42574	CHEMBL1577193	CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O	100000	nM
P42574	CHEMBL1333222	CC(=O)Nc1ccc(\C=C\c2noc(n2)c3ccccc3O)cc1	99000	nM
P42574	CHEMBL162522	C(N1CCN(Cc2ccccc2)CC1)c3ccccc3	100000	nM
P42574	CHEMBL1510959	CCCCNc1cc(NC(=O)C)cc2cc(OC)c(OC)cc12	99000	nM
P42574	CHEMBL1304004	O=C(Nc1ccc(cc1)c2noc(n2)c3cccs3)c4cccnc4	54800	nM
P42574	CHEMBL113600	C(N1CCNCC1)c2ccccc2	100000	nM
P42574	CHEMBL1221941	CCOC(=O)CN1CCNCC1	100000	nM
P42574	CHEMBL1242421	OC(=O)C[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)\C=C\S(=O)(=O)c4ccccc4	228000	nM
P42574	CHEMBL1378634	OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c3ccccc3C1=O	94500	nM
P42574	CHEMBL1314088	Cc1ccc(cc1)c2nnc(SCC(=O)NC(=O)Nc3ccc(C)cc3C)n2N	100000	nM
P42574	CHEMBL1477200	O=C(CCc1ccccc1)NNc2cc(nc(n2)N3CCCCC3)N4CCCCC4	100000	nM
P42574	CHEMBL1477200	O=C(CCc1ccccc1)NNc2cc(nc(n2)N3CCCCC3)N4CCCCC4	99000	nM
P42574	CHEMBL1575677	CCOC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1	64600	nM
P42574	CHEMBL1494979	O=C(NN=C1C(=O)c2ccccc2C1=O)c3ccccc3	51800	nM
P42574	CHEMBL1494979	O=C(NN=C1C(=O)c2ccccc2C1=O)c3ccccc3	100000	nM
P42574	CHEMBL1538518	Oc1ccc(cc1C2=NNC(C2)c3ccccc3F)[N+](=O)[O-]	68600	nM
P42574	CHEMBL1242422	CS(=O)(=O)\C=C\[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2c3ccccc13	163200	nM
P42574	CHEMBL1599544	Clc1ccc(cc1)C(=O)\C=C\c2ccc(OC3CSC3)cc2	99000	nM
P42574	CHEMBL1535900	Oc1nc(Nc2ccccc2)sc1\C=C\3/C=Nc4ccccc34	70500	nM
P42574	CHEMBL1301421	C1CCC(CC1)c2noc(n2)c3ccccc3	57100	nM
P42574	CHEMBL1337075	COc1ccc2nc(NC(=O)c3cccc(OCc4c(C)onc4C)c3)sc2c1	100000	nM
P42574	CHEMBL1300177	Clc1ccccc1NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccc4CCCc4c3	70300	nM
P42574	CHEMBL1404762	NS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1	99000	nM
P42574	CHEMBL1423084	OC(=O)c1ccc(cc1)c2ccc(OS(=O)(=O)c3ccccc3F)cc2	100000	nM
P42574	CHEMBL1469807	Cc1cc(C)nc(Nc2nc(cs2)c3ccccc3)n1	100000	nM
P42574	CHEMBL1613638	[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N2CC(=O)Nc3ccccc23	96600	nM
P42574	CHEMBL1337752	Fc1ccc(cc1)C(=O)N2N3C=CC=CC3=NC2=S	52200	nM
P42574	CHEMBL1379448	[O-][N+](=O)c1ccc(cc1)C(=O)NNc2cc(nc(n2)N3CCCC3)N4CCCC4	100000	nM
P42574	CHEMBL1379448	[O-][N+](=O)c1ccc(cc1)C(=O)NNc2cc(nc(n2)N3CCCC3)N4CCCC4	100000	nM
P42574	CHEMBL1242788	CC(C)[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)N[C@@H](CC(=O)O)\C=C\S(=O)(=O)c4ccccc4	69100	nM
P42574	CHEMBL1477061	Cc1ccc(cc1)C(=O)NNc2cc(nc(n2)N3CCCC3)N4CCCC4	99000	nM
P42574	CHEMBL1477061	Cc1ccc(cc1)C(=O)NNc2cc(nc(n2)N3CCCC3)N4CCCC4	100000	nM
P42574	CHEMBL1586985	CSc1nc2ccc(NC(=O)c3oc4ccccc4c3)cc2s1	100000	nM
P42574	CHEMBL1518285	N=C1N2C(=NSC2=NC(=O)/C/1=C\c3cccs3)SCc4ccccc4	50300	nM
P42574	CHEMBL1365257	FC(F)Oc1cccc(c1)C(=O)Nc2cc(Cl)cc(Cl)c2	100000	nM
P42574	CHEMBL1242513	C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)\C=C\S(=O)(=O)c2ccccc2	343000	nM
P42574	CHEMBL1242700	CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)\C=C\S(=O)(=O)C	94600	nM
P42574	CHEMBL1416561	Brc1cnn(Cc2oc(cc2)C(=O)Nc3sc4CCCCCc4c3C#N)c1	99000	nM
P42574	CHEMBL1370387	COc1ccc(O)c(c1)c2cc([nH]n2)c3cccc(Br)c3	97700	nM
P42574	CHEMBL1698189	COc1ccc(C)cc1NC(=O)Nc2ccc3CCCc3c2	81900	nM
P42574	CHEMBL1470502	CC(C)(C)c1ccc(cc1)C(=O)NNc2cc(nc(n2)N3CCCCC3)N4CCCCC4	100000	nM
P42574	CHEMBL1525161	CC(C)(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1	100000	nM
P42574	CHEMBL1313107	CCCOC(=O)c1ccc(NC(=O)\C=C\c2cccs2)cc1	62900	nM
P42574	CHEMBL1221938	C\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1	100000	nM
P42574	CHEMBL1242514	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)\C=C\S(=O)(=O)c2ccccc2	387900	nM
P42574	CHEMBL1242610	CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)\C=C\S(=O)(=O)c2ccccc2	185400	nM
P42574	CHEMBL1093717	C\C(=N/OC(=O)c1ccccc1F)\c2nccs2	71100	nM
P42574	CHEMBL1450897	O=C1c2ccccc2C(=O)C13OC3c4cccc5ccccc45	91900	nM
P42574	CHEMBL1701182	[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NNC(=O)c2ccccc2	84600	nM
P42574	CHEMBL1584557	CC1=CC2=NC(=S)N(N2C=C1)C(=O)c3cccc(C)c3	87300	nM
P42574	CHEMBL1437840	Cc1[nH]c2ccccc2c1C(=O)C(=O)N3CCC4(CC3)OCCO4	99000	nM
P42574	CHEMBL1323510	Brc1cccc(\C=C\2/SC(=S)N(CCCC(=O)N3CCOCC3)C2=O)c1	100000	nM
P42574	CHEMBL1506656	COc1ccc(cc1OC)C(N)c2nccc3cc(OC)c(OC)cc23	99000	nM
P42574	CHEMBL1406222	Cc1ccc(cc1C(=O)OCC(=O)N2CCc3ccccc3C2)S(=O)(=O)N4CCOCC4	92700	nM
P42574	CHEMBL1397706	CN1CC[C@]2(C)C(O1)N(C)c3ccc(O)cc23	100000	nM
P42574	CHEMBL1458321	OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c3ccccc3C1=O	100000	nM
P42574	CHEMBL1502410	CC(C)(C)c1cc[n+](cc1)C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c4ccccc4C2=O	76700	nM
P42574	CHEMBL1480400	NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2oc(cc2)[N+](=O)[O-])cc1	100000	nM
P42574	CHEMBL1313555	Br.COc1ccc(cc1)c2csc(CCN3N=C(C)CC3=O)n2	100000	nM
P42574	CHEMBL1906326	Cc1ccc(NC(=O)c2ccc(OC3CSC3)cc2)cc1	99000	nM
P42574	CHEMBL1901962	Fc1ccc(\C=C\c2noc(n2)c3ccc(cc3F)C(F)(F)F)cc1	99000	nM
P42574	CHEMBL1904202	CCOc1ccc(cc1Br)C(=O)Nc2ccc3ccccc3c2	99000	nM
P42574	CHEMBL1904649	CCCN(CCC)S(=O)(=O)c1ccc2[nH]cc(\C=N\NC(=S)Nc3ccc(F)c(Cl)c3)c2c1	99000	nM
P42574	CHEMBL1906504	Fc1cc(F)cc(c1)c2noc(\C=C\c3ccccc3Cl)n2	99000	nM
P42574	CHEMBL1900215	CCOc1ccc2nc(sc2c1)N(CCCn3ccnc3)C(=O)c4ccc(Cl)s4	99000	nM
P42574	CHEMBL1899871	[O-][N+](=O)c1cc(ccc1CC(=O)N\N=C\c2c[nH]c3ccccc23)C(F)(F)F	99000	nM
P42574	CHEMBL1835323	CC(C)O[C@H]1CCCN([C@@H]1C(=O)N[C@H]2CC(=O)OC2O)C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C)C(C)C)C(C)C	100000	nM
P42574	CHEMBL1835316	CC(C)[C@H](NC(=O)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](Oc2ncccn2)[C@H]1C(=O)N[C@H]3CC(=O)OC3O	100000	nM
P42574	CHEMBL1897477	Cc1nn(CC(=O)Nc2sc3CCCCc3c2C#N)c(C)c1I	99000	nM
P42574	CHEMBL1864230	Cc1ccc(cc1)S(=O)(=O)NCCC(=O)N\N=C/c2c[nH]c3ccccc23	99000	nM
P42574	CHEMBL1873343	FC(F)(F)c1ccc(N\N=C\c2c[nH]c3ccccc23)cc1	99000	nM
P42574	CHEMBL1892340	CN(C)CCN(C(=O)c1ccc(Cl)s1)c2nc3ccc(cc3s2)S(=O)(=O)C	99000	nM
P42574	CHEMBL1885498	Brc1cnc2cc(nn2c1)C(=O)Nc3sc4CCCCc4c3C#N	99000	nM
P42574	CHEMBL1887414	COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(cc1OC)C(=O)c4ccccc4	71600	nM
P42574	CHEMBL1889468	Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCN3CCOCC3	99000	nM
P42574	CHEMBL1835212	CC(C)O[C@H]1CCN([C@@H]1C(=O)N[C@H]2CC(=O)OC2O)C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C)C(C)C)C(C)C	100000	nM
P42574	CHEMBL1893628	Cc1ccc(cc1)S(=O)(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2	99000	nM
P42574	CHEMBL1894778	CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC(F)(F)F)cc3)sc2c1	99000	nM
P42574	CHEMBL1876947	Clc1ccc2[nH]c(C(=O)N\N=C\c3c[nH]c4ccccc34)c(c5ccccc5)c2c1	99000	nM
P42574	CHEMBL1620972	[O-][N+](=O)c1ccccc1CNCCc2c[nH]c3ccccc23	99000	nM
P42574	CHEMBL1835400	COc1cc2CCN(C(C(=O)N[C@H]3CC(=O)OC3O)c2cc1OC)C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C)C(C)C)C(C)C	100000	nM
P42574	CHEMBL1903767	Cc1ccccc1c2noc(n2)\C(=C/c3ccccc3F)\C#N	99000	nM
P42574	CHEMBL1902079	Oc1ccc(\C=N/Nc2cc(nc(n2)N3CCOCC3)N4CCOCC4)c(O)c1	99000	nM
P42574	CHEMBL1870529	CN(C(=O)c1cccc(Br)c1)c2nc3ccccc3s2	99000	nM
P42574	CHEMBL1886078	Cc1cccc(N\N=C\c2c[nH]c3ccccc23)c1	99000	nM
P42574	CHEMBL1885333	CNC(=O)C1Cc2ccccc2N1C(=O)C(=O)c3c(C)[nH]c4ccccc34	99000	nM
P42574	CHEMBL1890186	CCC(=O)c1ccc(OCC(=O)N(c2ccccc2)c3nc(ns3)c4ccccc4)cc1	99000	nM
P42574	CHEMBL1874988	COc1cc(\C=C\c2noc(n2)c3ccccc3O)ccc1OCC(=O)O	54000	nM
P42574	CHEMBL1875316	COc1cc(ccc1OCc2ccc(Cl)cc2)C(=O)Nc3ccccc3F	99000	nM
P42574	CHEMBL1876946	COc1ccccc1CC(=O)Nc2ccc(cc2)c3noc(\C=C\c4ccccc4)n3	99000	nM
P42574	CHEMBL1877261	Nc1ccccc1c2noc(\C=C\c3ccccc3Cl)n2	99000	nM
P42574	CHEMBL1880833	CC(=O)Oc1ccccc1\C=C(/C)\c2noc(n2)c3ccccc3O	99000	nM
P42574	CHEMBL1873053	Fc1ccc(\C=C\c2noc(n2)c3cccc(c3)C#N)cc1	99000	nM
P42574	CHEMBL1865088	Cc1cc(nn1CC(=O)Nc2sc3CCCc3c2C#N)C(F)F	99000	nM
P42574	CHEMBL1906451	CC1=C(SC(=O)N1)S(=O)(=O)N2CCN(CC2)C(=O)c3sc4cc(F)ccc4c3Cl	99000	nM
P42574	CHEMBL1906573	Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)cc3sc(NC(=O)c4ccccc4)nc13	99000	nM
P42574	CHEMBL1903194	Oc1ccc(Cl)cc1\C=N\Nc2cc(nc(n2)N3CCCC3)N4CCCC4	99000	nM
P42574	CHEMBL1886298	CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)sc2c1	99000	nM
P42574	CHEMBL1888240	Clc1ccc(OCC(=O)NCC(=O)N\N=C\c2c[nH]c3ccccc23)c(Cl)c1	99000	nM
P42574	CHEMBL1890161	Oc1cccc(\C=N\Nc2cc(nc(n2)N3CCOCC3)N4CCOCC4)c1	99000	nM
P42574	CHEMBL1886235	C(c1ccccc1)n2cc(\C=N\Nc3ccccc3)c4ccccc24	99000	nM
P42574	CHEMBL1835317	CC(C)[C@H](NC(=O)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](CC(C)(C)C)[C@H]1C(=O)N[C@H]2CC(=O)OC2O	78350	nM
P42574	CHEMBL1876157	Clc1ccc(N\N=C\c2cn(Cc3ccccc3)c4ccccc24)cc1	99000	nM
P42574	CHEMBL1835399	CC(C)[C@H](NC(=O)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(C)ccc2C1C(=O)N[C@H]3CC(=O)OC3O	60000	nM
P42574	CHEMBL1883614	CCN(CC)S(=O)(=O)c1ccc(C)c(c1)C(=O)N(CC)c2nc3ccccc3s2	99000	nM
P42574	CHEMBL1883048	Fc1ccc(N\N=C\c2cn(Cc3ccccc3)c4ccccc24)cc1	99000	nM
P42574	CHEMBL1881903	CCOc1ccc2nc(NC(=O)CN3C(=O)Oc4ccc(cc34)C(=O)N5CCCC5)sc2c1	99000	nM
P42574	CHEMBL1884437	Fc1ccc(N\N=C\c2c[nH]c3ccccc23)cc1	99000	nM
P42574	CHEMBL1877788	NS(=O)(=O)c1ccc(CCNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	99000	nM
P42574	CHEMBL1882689	O=C(N\N=C\c1c[nH]c2ccccc12)C3CC3(c4ccccc4)c5ccccc5	99000	nM
P42574	CHEMBL1884064	CC(C)c1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CC(C)CC(C)C4)sc2c1	99000	nM
P42574	CHEMBL1864818	CC(C)(C)CC(=O)Nc1ccc(cc1)c2oc3ccc(Cl)cc3n2	99000	nM
P42574	CHEMBL1867713	FC(F)(F)c1ccc(cc1)C(=O)Nc2nc3ccc(Cl)cc3s2	99000	nM
P42574	CHEMBL1868306	C1CCCN(CC1)c2cc(N\N=C/c3ccccc3)nc(n2)N4CCCCCC4	99000	nM
P42574	CHEMBL1869120	Clc1ccc2nc(NC(=O)C3CCCCC3)sc2c1	99000	nM
P42574	CHEMBL1880043	Clc1ccc(N\N=C\c2c[nH]c3ccccc23)cc1	99000	nM
P42574	CHEMBL1877896	CN(C)c1nc(NCc2ccccc2)nc(N\N=C\c3ccc(Br)cc3)n1	99000	nM
P42574	CHEMBL1902151	Brc1cnc2c(cnn2c1)C(=O)Nc3sc4CCCc4c3C#N	99000	nM
P42574	CHEMBL1898076	CS(=O)(=O)c1ccc(N\N=C\c2cn(Cc3ccccc3)c4ccccc24)cc1	99000	nM
P42574	CHEMBL1894672	Fc1cc(ccc1c2onc(\C=C\c3ccccc3)n2)C(F)(F)F	99000	nM
P42574	CHEMBL1896949	O=C(N\N=C/c1c[nH]c2ccccc12)c3cccs3	75500	nM
P42574	CHEMBL1897633	N(\N=C\c1c[nH]c2ccccc12)c3ccccc3	99000	nM
P42574	CHEMBL1892467	OC(=O)CCN1C(=S)S\C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)\C1=O	99000	nM
P42574	CHEMBL1875168	CCCCc1ccc2nc(NC(=O)c3csc4ccccc34)sc2c1	99000	nM
P42574	CHEMBL1882084	C\C(=C/c1ccccc1)\c2onc(n2)c3cccc(c3)C(F)(F)F	99000	nM
P42574	CHEMBL1881590	OC(=O)c1ccc(N\N=C\c2cn(Cc3ccccc3)c4ccccc24)cc1	99000	nM
P42574	CHEMBL1904443	Fc1cc(F)cc(c1)c2noc(\C=C\c3ccccc3)n2	99000	nM
P42574	CHEMBL1905093	CN(C)c1cc(NN=Cc2occc2)nc(n1)N(C)C	99000	nM
P42574	CHEMBL1864262	CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1	99000	nM
P42574	CHEMBL1865073	Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc4nc5c(F)cc(F)cc5s4)c2c1C	99000	nM
P42574	CHEMBL1866663	Clc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccccc4)cc3	99000	nM
P42574	CHEMBL1867839	CCOc1ccc2nc(sc2c1)N(Cc3cccnc3)C(=O)c4ccc(Cl)s4	99000	nM
P42574	CHEMBL1904381	Cc1ccc(cc1)c2onc(CNC(=O)C(=O)c3c[nH]c4ccccc34)c2	99000	nM
P42574	CHEMBL1890591	Oc1ccc(cc1\C=N\Nc2ncnc3c2cnn3c4ccccc4)[N+](=O)[O-]	100000	nM
P42574	CHEMBL1880875	NC(=O)c1ccc(OC2CSC2)cc1	99000	nM
P42574	CHEMBL1873865	CCOc1cccc2sc(NC(=O)c3ccc(cc3)C#N)nc12	99000	nM
P42574	CHEMBL1877317	CN(C)CCN(C(=O)c1ccc(Cl)s1)c2nc3ccc(F)cc3s2	99000	nM
P42574	CHEMBL1883713	COCc1c(sc2cccc(F)c12)C(=O)Nc3nc4ccc(C)cc4s3	99000	nM
P42574	CHEMBL1883060	CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3c(C)ccc(Cl)c3s2	99000	nM
P42574	CHEMBL1883257	CCCCc1ccc2nc(NC(=O)c3cc(C)cs3)sc2c1	68400	nM
P42574	CHEMBL1883257	CCCCc1ccc2nc(NC(=O)c3cc(C)cs3)sc2c1	51000	nM
P42574	CHEMBL1898778	C1CN(CCO1)c2ccc(cc2)c3noc(\C=C\c4ccccc4)n3	99000	nM
P42574	CHEMBL1898951	N#Cc1ccc(cc1)c2onc(\C=C\c3ccccc3)n2	99000	nM
P42574	CHEMBL1892775	CC(C)(C)CC(=O)Nc1ccc(cc1)c2nc3cc(Cl)ccc3s2	99000	nM
P42574	CHEMBL1901621	O=C(N\N=C\c1c[nH]c2ccccc12)C3CC3c4ccccc4	99000	nM
P42574	CHEMBL1892809	CCOc1cc(ccc1OCc2ccccc2F)C(=S)N3CCCC3	99000	nM
P42574	CHEMBL1893076	Oc1ccc(Br)cc1\C=N\Nc2cc(nc(n2)N3CCCC3)N4CCCC4	99000	nM
P42574	CHEMBL1895639	CCCS(=O)(=O)c1c(C(=O)N\N=C/c2c[nH]c3ccccc23)n4cccc(C)c4c1S(=O)(=O)CCC	99000	nM
P42574	CHEMBL1876647	COc1ccc(\C=N\Nc2nc(NCc3ccccc3)nc(n2)N(C)C)cc1Br	99000	nM
P42574	CHEMBL1878555	Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc3cc(on3)c4oc5ccccc5c4	99000	nM
P42574	CHEMBL1882953	[O-][N+](=O)c1oc(cc1)C(=O)OCC(=O)NCc2ccc(F)cc2	99700	nM
P42574	CHEMBL1877931	FC(F)(F)c1ccc(N\N=C\c2cn(Cc3ccccc3)c4ccccc24)cc1	99000	nM
P42574	CHEMBL1878966	CN(\N=C\c1c[nH]c2ccccc12)C3=C(Cl)C(=O)N(N=C3)c4ccc(F)c(Cl)c4	99000	nM
P42574	CHEMBL1869876	CCCc1ccccc1c2onc(\C=C\c3ccccc3)n2	99000	nM
P42574	CHEMBL1870753	COc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c4ccc5OCCOc5c4)sc2c1	99000	nM
P42574	CHEMBL1877822	CCCCc1ccc2nc(NC(=O)C3CCCCC3)sc2c1	99000	nM
P42574	CHEMBL1881371	Cc1c(oc2ccccc12)C(=O)Nc3nc4ccc(Cl)cc4s3	99000	nM
P42574	CHEMBL1881878	Fc1cc(F)c2nc(sc2c1)N(Cc3cccnc3)C(=O)c4ccc(Cl)s4	99000	nM
P42574	CHEMBL1883149	COc1ccccc1NC(=S)N\N=C/c2c[nH]c3ccc(cc23)S(=O)(=O)N4CCCCC4	99000	nM
P42574	CHEMBL1899771	C1CCN(C1)c2cc(N\N=C/C=C/c3ccccc3)nc(n2)N4CCCC4	99000	nM
P42574	CHEMBL1897348	O=C(Nc1nc2ccccc2s1)c3cccc(c3)S(=O)(=O)N4CCN(CC4)c5ccccc5	99000	nM
P42574	CHEMBL1898917	Brc1oc(cc1)C(=O)Nc2ccc(cc2)c3noc(\C=C\c4ccccc4)n3	99000	nM
P42574	CHEMBL1864348	Oc1ccc(\C=N\Nc2cc(nc(n2)N3CCCC3)N4CCCC4)cc1	99000	nM
P42574	CHEMBL1864348	Oc1ccc(\C=N\Nc2cc(nc(n2)N3CCCC3)N4CCCC4)cc1	100000	nM
P42574	CHEMBL1864057	O=C(Nc1nc2ccc(NC(=O)c3n[nH]c4c3CCc5ccccc45)cc2s1)c6ccccc6	99000	nM
P42574	CHEMBL1864637	CCOC(=O)c1c(NC(=O)C2CC2)scc1c3ccc(Br)cc3	99000	nM
P42574	CHEMBL1899813	[O-][S+](CCNC(=O)C(=O)c1c[nH]c2ccccc12)c3c([nH]c4ccccc34)c5ccc(F)cc5	50700	nM
P42574	CHEMBL1888528	CN(C)c1cc(N\N=C/c2ccccc2)nc(n1)N(C)C	50700	nM
P42574	CHEMBL1888528	CN(C)c1cc(N\N=C/c2ccccc2)nc(n1)N(C)C	79300	nM
P42574	CHEMBL1888528	CN(C)c1cc(N\N=C/c2ccccc2)nc(n1)N(C)C	100000	nM
P42574	CHEMBL1892075	Clc1ccc2nc(NC(=O)c3oc4ccccc4c3)sc2c1	99000	nM
P42574	CHEMBL1888321	COc1ccc(N\N=C\c2cn(Cc3ccccc3)c4ccccc24)cc1	99000	nM
P42574	CHEMBL1892009	Cc1oc(cc1)C(=O)Nc2sc3CCCCCCc3c2C#N	99000	nM
P42574	CHEMBL1873341	COc1cccc(c1)n2nnc3c(ncnc23)N4CCN(CC4)C(=O)C(=O)c5c(C)[nH]c6ccccc56	99000	nM
P42574	CHEMBL1900453	O=C(NN=C1C(=O)c2ccccc2C1=O)c3ccncc3	76500	nM
P42574	CHEMBL1894366	ON(O)c1ccc(N\N=C\c2c[nH]c3ccccc23)cc1	99000	nM
P42574	CHEMBL1895018	CC(C)CC(=O)Nc1ccc(cc1)c2oc3ccc(Cl)cc3n2	51900	nM
P42574	CHEMBL1892979	CCS(=O)(=O)c1cccc(c1)C(=O)Nc2nc3ccc(Br)cc3s2	99000	nM
P42574	CHEMBL1900875	O=C(N1CC(=O)Nc2ccccc12)C(=O)c3c[nH]c4ccccc34	99000	nM
P42574	CHEMBL1904269	COc1cc(\C=C(\C#N)/c2onc(n2)c3ccc(C)cc3)ccc1OCc4cccc(c4)C(F)(F)F	99000	nM
P42574	CHEMBL1879719	Cc1[nH]c2ccccc2c1C(=O)C(=O)N3CCCCCC3	99000	nM
P42574	CHEMBL1866482	CC(C)CC(=O)Nc1ccc(cc1)c2nc3cc(Cl)ccc3s2	99000	nM
P42574	CHEMBL1868274	O=C(Nc1nc2ccccc2s1)c3cccs3	72000	nM
P42574	CHEMBL1880304	Cc1c(oc2ccccc12)C(=O)Nc3nc4ccccc4s3	99000	nM
P42574	CHEMBL1883428	COc1ccc(CCC(=O)Nc2ccc(cc2)c3noc(\C=C\c4ccccc4)n3)cc1	99000	nM
P42574	CHEMBL1877480	CN(C1CCCCC1)C(=O)C(=O)c2c[nH]c3ccccc23	99000	nM
P42574	CHEMBL1871384	Cc1cccc(N\N=C\c2cn(Cc3ccccc3)c4ccccc24)c1	99000	nM
P42574	CHEMBL1873019	COc1ccc2nc(NC(=O)c3ccc4OCCOc4c3)sc2c1	99000	nM
P42574	CHEMBL1875849	COC(=O)c1ccc(C)cc1C2CN=NC23Cc4cc(C)ccc4C3=O	100000	nM
P42574	CHEMBL1905211	COc1cc(OC)cc(c1)c2onc(\C=C\c3ccccc3)n2	99000	nM
P42574	CHEMBL1890481	CC(C)(C)C(=O)N1CCC(CC1)C(=O)Nc2nc3c(F)cc(F)cc3s2	99000	nM
P42574	CHEMBL1888478	O=C(CCc1ccccc1)NNc2cc(nc(n2)N3CCOCC3)N4CCOCC4	99000	nM
P42574	CHEMBL1867373	COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C4CCCC4)nc12	99000	nM
P42574	CHEMBL1870590	Clc1ccccc1NC(=O)c2ccc(OCc3ccccc3)cc2	99000	nM
P42574	CHEMBL1872457	Oc1ccc(\C=N\Nc2cc(nc(n2)N3CCCC3)N4CCCC4)cc1O	99000	nM
P42574	CHEMBL1872457	Oc1ccc(\C=N\Nc2cc(nc(n2)N3CCCC3)N4CCCC4)cc1O	99000	nM
P42574	CHEMBL1890253	CCCCc1ccc2nc(NC(=O)c3oc4ccccc4c3C)sc2c1	99000	nM
P42574	CHEMBL1892156	COc1cc(OC)cc(c1)c2noc(\C=C\c3ccccc3)n2	59000	nM
P42574	CHEMBL1894125	COc1ccc(cc1Br)C(=O)Nc2ccc3ccccc3c2	99000	nM
P42574	CHEMBL1896895	CCc1ccc(cc1)c2onc(\C=C\c3ccccc3)n2	80000	nM
P42574	CHEMBL1894520	CCOc1cc(\C=C(\C#N)/c2onc(n2)c3ccc(C)cc3)cc(Cl)c1O	99000	nM
P42574	CHEMBL1896157	Oc1oc(\C=C\c2ccc(F)cc2)nn1	99000	nM
P42574	CHEMBL1883904	Cc1nn(c2OC(=C(C#N)C(c3ccc(OC(F)F)cc3)c12)N)c4ccccc4	99000	nM
P42574	CHEMBL1893046	CCc1cccc2sc(NC(=O)c3cccc(F)c3)nc12	99000	nM
P42574	CHEMBL1885365	Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCn3ccc4ccccc34	99000	nM
P42574	CHEMBL1886655	Cc1ccc2nc(NC(=O)c3cccc(c3)n4cnnn4)sc2c1	99000	nM
P42574	CHEMBL1879256	CCCC(=O)Nc1ccc(cc1)c2oc3ccc(Cl)cc3n2	99000	nM
P42574	CHEMBL1873177	CC(C)(CC(=O)Nc1scc(c2ccc(Br)cc2)c1C(=O)O)CC(=O)Nc3scc(c4ccc(Br)cc4)c3C(=O)O	99000	nM
P42574	CHEMBL1904728	CN(C)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)c3ccccc3	99000	nM
P42574	CHEMBL1905576	CCc1ccc(cc1)c2onc(\C=C\c3ccc(F)cc3)n2	99000	nM
P42574	CHEMBL1905640	CCc1cccc2c(c[nH]c12)C(=O)CN3C(=O)c4ccccc4C3=O	99000	nM
P42574	CHEMBL1885025	CCCCc1ccc2nc(NC(=O)c3cc(Br)cs3)sc2c1	99000	nM
P42574	CHEMBL1888363	Clc1ccc2nc(NC(=O)C3=NN(C=CC3=O)c4ccccc4)sc2c1	99000	nM
P42574	CHEMBL1870966	OC(=O)c1ccc(N\N=C\c2cn(Cc3ccc(F)cc3)c4ccccc24)cc1	89100	nM
P42574	CHEMBL1870597	CS(=O)(=O)c1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1	99000	nM
P42574	CHEMBL1878172	COc1ccc(cc1)C2C(=C(Oc3c2c(C)nn3c4ccccc4)\N=C\N(C)C)C#N	99000	nM
P42574	CHEMBL1877405	OC(=O)C(=O)O.N#CC1(CCCN2CCCCC2)c3ccccc3CCc4ccccc14	100000	nM
P42574	CHEMBL1904010	COCc1c(Br)c(C)nc(OCC(=O)N\N=C\c2c[nH]c3ccccc23)c1C#N	99000	nM
P42574	CHEMBL1905421	Cc1[nH]c2ccccc2c1\C=N\NC(=O)Cc3nnc(N)s3	99000	nM
P42574	CHEMBL1905960	COc1ccc(cc1)N2CC(CC2=O)C(=O)N\N=C\c3c[nH]c4ccccc34	99000	nM
P42574	CHEMBL1902852	CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2c1	99000	nM
P42574	CHEMBL1873238	CCCc1ccc(OCc2ccc(cc2)C(=O)Nc3ccccc3F)cc1	99000	nM
P42574	CHEMBL1875484	CCCC(=O)Nc1ccc(cc1)C(=O)N\N=C\c2c(C)[nH]c3ccccc23	99000	nM
P42574	CHEMBL1875486	COc1cc(OC)cc(c1)c2noc(\C=C\c3ccccc3Cl)n2	99000	nM
P42574	CHEMBL1876373	Brc1ccc(cc1)c2onc(\C=C\c3ccccc3)n2	99000	nM
P42574	CHEMBL1903024	COc1cccc2sc(NC(=O)c3ccc(OCc4nccn4C)cc3)nc12	89900	nM
P42574	CHEMBL1903693	Clc1cccc(c1)\N=C\c2ccc(OC3CSC3)cc2	99000	nM
P42574	CHEMBL1881032	COc1ccc(\C=C(\C#N)/c2onc(n2)c3ccccc3C)cc1O	99000	nM
P42574	CHEMBL1883288	COC(=O)c1nn(c2O\C(=N\c3ccc(C)cc3)\NC(c4ccc(OC)cc4)(c12)C(F)(F)F)c5ccccc5	99000	nM
P42574	CHEMBL1879541	Cc1cccc(c1)c2onc(\C=C\c3ccc(F)cc3)n2	99000	nM
P42574	CHEMBL1865265	COc1ccc(cc1OC)C2CCCN2C(=O)c3sc4ccccc4c3Cl	99000	nM
P42574	CHEMBL1866145	CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4c(C)ccc(Cl)c4s3	99000	nM
P42574	CHEMBL1863714	COc1cc(NC(=O)Nc2ccc(F)cc2)cc3sc(NC(=O)c4ccccc4)nc13	99000	nM
P42574	CHEMBL1866897	[O-][N+](=O)c1ccc(cc1)\N=C\c2c[nH]c3ccccc23	99000	nM
P42574	CHEMBL1866357	Clc1cccc2sc(NC(=O)C3COc4ccccc4O3)nc12	99000	nM
P42574	CHEMBL1886476	[O-][N+](=O)c1cc(\C=N\Nc2cc(nc(n2)N3CCOCC3)N4CCOCC4)cc5OCOc15	99000	nM
P42574	CHEMBL1887007	Clc1ccc(\C=N\Nc2cc(nc(n2)N3CCOCC3)N4CCOCC4)c(Cl)c1	99000	nM
P42574	CHEMBL1898996	CCN1CCN(CCCNC(=O)C(=O)c2c[nH]c3ccccc23)CC1	99000	nM
P42574	CHEMBL1871956	COc1ccc(cc1)C(=O)NN=C2C(=O)c3ccccc3C2=O	99000	nM
P42574	CHEMBL1872300	FC(F)Sc1ccc2nc(NC(=O)c3cn(nc3c4ccc(Cl)cc4)c5ccccc5)sc2c1	99000	nM
P42574	CHEMBL1872249	C1CCN(C1)c2cc(N\N=C\c3ccccc3)nc(n2)N4CCCC4	99000	nM
P42574	CHEMBL1897928	CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)scc1c3ccc(cc3)c4ccccc4	99000	nM
P42574	CHEMBL1892581	FC(F)(F)c1cccc(CC(=O)N(c2ccccc2)c3nc(ns3)c4ccccc4)c1	99000	nM
P42574	CHEMBL1895014	Cc1onc(NC(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1	99000	nM
P42574	CHEMBL1899086	CCCCOCCCNC(=O)CNC(=O)c1sc2ccccc2c1Cl	99000	nM
P42574	CHEMBL1864520	CC1CN(CC(C)O1)C(=O)C(=O)c2c[nH]c3ccccc23	99000	nM
P42574	CHEMBL1865565	CCc1cccc2c(c[nH]c12)C(=O)CN3C(=O)c4ccccc4S3(=O)=O	99000	nM
P42574	CHEMBL1865901	Cc1ccc(cc1)N2CC(CC2=O)NC(=O)C(=O)c3c(C)[nH]c4ccccc34	99000	nM
P42574	CHEMBL1878666	CCC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1	100000	nM
P42574	CHEMBL1898553	COc1ccc(cc1)C2C(=C(N)Oc3c2c(C)nn3c4ccccc4)C#N	99000	nM
P42574	CHEMBL1876444	Cc1ccc2nc(NC(=O)c3cccc(c3)S(=O)(=O)NCC4CCCO4)sc2c1	99000	nM
P42574	CHEMBL1877394	Clc1cccc(NC(=S)N\N=C/c2c[nH]c3ccc(cc23)S(=O)(=O)N4CCCCC4)c1	99000	nM
P42574	CHEMBL1863755	Cc1ccc(\C=C\c2onc(n2)c3ccc(NS(=O)(=O)c4cccs4)cc3)cc1	99000	nM
P42574	CHEMBL1867387	CS(=O)(=O)c1ccc(N\N=C\c2c[nH]c3ccccc23)cc1	99000	nM
P42574	CHEMBL1885482	CCN(CC)c1ccc(\C=C\c2noc(n2)c3ccccc3O)cc1	99000	nM
P42574	CHEMBL1888458	COc1cc(ccc1OCc2ccc(Cl)cc2)C(=O)Nc3ccccc3Cl	99000	nM
P42574	CHEMBL1880791	CCN(CC)c1ccc(\C=N\Nc2nc(nc(n2)N3CCCC3)N4CCCC4)cc1	99000	nM
P42574	CHEMBL1903946	Fc1ccc(\C=C\c2noc(n2)c3ccc(cc3)C#N)cc1	99000	nM
P42574	CHEMBL1898718	CCOc1ccc(cc1Cl)C(=O)Nc2ccc3ccccc3c2	99000	nM
P42574	CHEMBL1898479	Oc1cccc(\C=N\Nc2cc(nc(n2)N3CCCC3)N4CCCC4)c1	99000	nM
P42574	CHEMBL1898479	Oc1cccc(\C=N\Nc2cc(nc(n2)N3CCCC3)N4CCCC4)c1	100000	nM
P42574	CHEMBL1893952	o1nc(nc1\C=C\c2ccccc2)c3cc4ccccc4cn3	99000	nM
P42574	CHEMBL355496	Oc1[nH]c2cc(Br)ccc2c1c3[nH]c4ccccc4c3N=O	64300	nM
P42574	CHEMBL1890960	Cc1[nH]c2ccccc2c1\C=N\NC(=O)c3cc4ccccc4cc3O	99000	nM
P42574	CHEMBL1893861	Cc1ccccc1NC(=O)CCC(=O)N\N=C\c2c[nH]c3ccccc23	99000	nM
P42574	CHEMBL1897885	Cc1cccc(c1)c2onc(\C=C\c3ccccc3)n2	52000	nM
P42574	CHEMBL1897015	CCOc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)sc2c1	99000	nM
P42574	CHEMBL1996492	CCN1Sc2ccccc2C1=O	91240	nM
P42574	CHEMBL2028088	Cl.CN(C)CCN(C(=O)c1ccc(cc1)S(=O)(=O)N2CCCCCC2)c3nc4cc5OCCOc5cc4s3	99000	nM
P42574	CHEMBL2323966	CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)\C=C\S(=O)(=O)C	100000	nM
P42574	CHEMBL2391853	COC[C@@H]1C[C@@H](CN1S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2)OC	500000	nM
P42574	CHEMBL2391857	COC[C@@H]1C[C@@H](CN1S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2)OCCOCCOCCOCCO	500000	nM
P42574	CHEMBL2391850	COC[C@@H]1C[C@H](CN1S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2)OC	500000	nM
P42574	CHEMBL2391856	COC[C@@H]1C[C@H](CN1S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2)OCCOCCOCCOCCO	500000	nM
P42574	CHEMBL2391978	COC[C@@H]1CC[C@H](COC)N1S(=O)(=O)c2ccc3N(CCCCF)C(=O)C(=O)c3c2	500000	nM
P42574	CHEMBL2391862	COC[C@@H]1C[C@@H](CN1S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2)C(F)(F)F	101000	nM
P42574	CHEMBL2391979	COC[C@@H]1CC[C@@H](COC)N1S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2	500000	nM
P42574	CHEMBL2391859	COC[C@@H]1C[C@H](CN1S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2)C(F)(F)F	500000	nM
P42574	CHEMBL2391858	CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N3C[C@H](C[C@H]3COC)OCCOCCOCCOCCO	500000	nM
P42574	CHEMBL2391775	Ic1ccc(NC(=O)N2Sc3ccccc3C2=O)cc1	100000	nM
P42574	CHEMBL2391854	CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N3C[C@H](C[C@H]3COC)OC	81100	nM
P42574	CHEMBL2391976	COC[C@@H]1CC[C@H](COC)N1S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2	500000	nM
P42574	CHEMBL2391977	CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N3[C@H](COC)CC[C@@H]3COC	500000	nM
P42574	CHEMBL2260689	Cc1ccccc1C2C(=O)c3c(C)nc4ccc(Br)cc4c3C2=O	393550075.46	nM
P42574	CHEMBL2260890	CC1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O	632411851.38	nM
P42574	CHEMBL2260883	Cc1nn(C)c(C)c1C2C(=O)c3c(C)nc4ccc(cc4c3C2=O)S(=O)(=O)N5CCCC5COc6ccccc6	54954087.39	nM
P42574	CHEMBL2260694	COCCNS(=O)(=O)c1ccc2nc(C)c3C(=O)C(C(=O)c3c2c1)c4c(C)nn(C)c4C	20989398.84	nM
P42574	CHEMBL2260885	Cc1nn(C)c(C)c1C2C(=O)c3c(C)nc4ccc(cc4c3C2=O)C#N	15995580.29	nM
P42574	CHEMBL2260891	CC1C(=O)c2c(C)nc3ccc(cc3c2C1=O)S(=O)(=O)N4CCOCC4	43954161.54	nM
P42574	CHEMBL2260693	Cc1nc2ccc(cc2c3C(=O)C(C(=O)c13)c4c(C)nn(C)c4C)S(=O)(=O)NCCO	19998618.7	nM
P42574	CHEMBL2260686	COC(=O)CCC1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O	926829823.38	nM
P42574	CHEMBL2260687	COC(=O)CCC1C(=O)c2c(C)nc3ccc(cc3c2C1=O)S(=O)(=O)N4CCOCC4	36982817.98	nM
P42574	CHEMBL2260688	Cc1ccccc1C2C(=O)c3c(C)nc4ccccc4c3C2=O	123310483.32	nM
P42574	CHEMBL2448581	[O-][N+](=O)c1ccc(cc1)c2onc(\C=C\c3ccc(F)cc3)n2	99000	nM
P42574	CHEMBL2448582	Nc1ccc(cc1[N+](=O)[O-])c2noc(\C=C\c3ccccc3)n2	99000	nM
P42574	CHEMBL2260889	CC1C(=O)c2c(C)nc3ccccc3c2C1=O	157398286.45	nM
P42574	CHEMBL2260680	COC(=O)CC1C(=O)c2c(C)nc3ccccc3c2C1=O	215278173.47	nM
P42574	CHEMBL2260681	COC(=O)CC1C(=O)c2c(C)nc3ccc(F)cc3c2C1=O	399944749.76	nM
P42574	CHEMBL2260887	Cc1nc2ccc(Br)cc2c3C(=O)CC(=O)c13	26977394.32	nM
P42574	CHEMBL2260882	COC(=O)C(Cc1ccccc1)NS(=O)(=O)c2ccc3nc(C)c4C(=O)C(C(=O)c4c3c2)c5c(C)nn(C)c5C	23014418.17	nM
P42574	CHEMBL2260691	Cc1nc2ccc(Br)cc2c3C(=O)C(C(=O)c13)c4c(C)nn(C)c4C	359749335.16	nM
P42574	CHEMBL2260692	Cc1nc2ccc(cc2c3C(=O)C(C(=O)c13)c4c(C)nn(C)c4C)S(=O)(=O)N	33036954.1	nM
P42574	CHEMBL2260682	COC(=O)CC1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O	460256573.58	nM
P42574	CHEMBL2260683	COC(=O)CC1C(=O)c2c(C)nc3ccc(cc3c2C1=O)S(=O)(=O)N4CCOCC4	15995580.29	nM
P42574	CHEMBL2260886	Cc1nc2ccc(F)cc2c3C(=O)CC(=O)c13	15922087.27	nM
P42574	CHEMBL2260684	COC(=O)CCC1C(=O)c2c(C)nc3ccccc3c2C1=O	42953642.68	nM
P42574	CHEMBL2260884	Cc1nc2ccc(cc2c3C(=O)C(C(=O)c13)c4c(C)nn(C)c4C)S(=O)(=O)N5CCOCC5	3999447.5	nM
P42574	CHEMBL3193011	COc1ccc(\C=N\Nc2cc(nc(n2)N(C)C)N(C)C)cc1	100000	nM
P42574	CHEMBL3191759	Cc1ccc(\N=C\C2=C(O)Oc3ccccc3C2=O)c(C)c1	95000	nM
P42574	CHEMBL3145048	CC1=C(N=Nc2cccc(c2)C(=O)O)C(=O)N(N1)c3ccccc3	100000	nM
P42574	CHEMBL2260685	COC(=O)CCC1C(=O)c2c(C)nc3ccc(F)cc3c2C1=O	181970085.86	nM
P42574	CHEMBL2260690	Cc1ccccc1C2C(=O)c3c(C)nc4ccc(cc4c3C2=O)S(=O)(=O)N5CCOCC5	14996848.36	nM
P42574	CHEMBL3196108	COc1ccc(\C=N\Nc2cc(nc(n2)N3CCCC3)N4CCCC4)cc1	100000	nM
P42574	CHEMBL2260888	Cc1nc2ccc(cc2c3C(=O)CC(=O)c13)S(=O)(=O)N4CCOCC4	209893988.36	nM
P42574	CHEMBL3145148	CC1=C(C(=O)N(N1)c2ccccc2)S(=O)(=O)c3ccccc3	100000	nM
P42574	CHEMBL3193227	COc1ccccc1\N=C\C2=C(O)Oc3ccccc3C2=O	100000	nM
P42574	CHEMBL3191871	OC(=O)c1ccc(N\N=C\c2oc(cc2)c3cc(Cl)ccc3Cl)cc1	100000	nM
P42574	CHEMBL3197208	CC(=O)N(\N=C\1/Sc2ccccc2C1=O)c3cccc(C)c3	65800	nM
P42574	CHEMBL3195749	COC(=O)c1ccccc1NC2=C\C(=N/S(=O)(=O)c3cccs3)\c4ccccc4C2=O	68400	nM
P42574	CHEMBL3145187	COC(=O)C(O)(C1=C(C)NN(C1=O)c2ccccc2)C(F)(F)F	68900	nM
P42574	CHEMBL3144856	COc1ccc(cc1)C(CN(=O)=O)C2=C(C)NN(C2=O)c3ccccc3	100000	nM
P42574	CHEMBL3194419	COc1cccc(c1)\N=C\C2=C(O)Oc3ccccc3C2=O	100000	nM
P42574	CHEMBL3197446	COc1cccc(c1)C(=O)Oc2ccc(\C=N\Nc3ccc(cc3)C(=O)O)cc2OC	74200	nM
P42574	CHEMBL3199870	COc1ccc2C(=C(CCc2c1)\C=N\c3ccc4OCOc4c3)O	65500	nM
P42574	CHEMBL3359201	COC[C@@H]1CCCN1S(=O)(=O)c2cc(F)c3NC(=O)C(=O)c3c2	500000	nM
P42574	CHEMBL3359198	COC[C@@H]1CCCN1S(=O)(=O)c2cc(Cl)c3NC(=O)C(=O)c3c2	500000	nM
P42574	CHEMBL3359190	COC[C@@H]1CCCN1S(=O)(=O)c2cc(Br)c3NC(=O)C(=O)c3c2	500000	nM
P42574	CHEMBL3359182	COC[C@@H]1CCCN1S(=O)(=O)c2cc(I)c3NC(=O)C(=O)c3c2	500000	nM
P42574	CHEMBL3805818	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3ccccc3)\c4ccccc14	456100	nM
P42574	CHEMBL3805231	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3ccc(cc3)[N+](=O)[O-])\c4ccccc14	202400	nM
P42574	CHEMBL3804942	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3cccc(c3)[N+](=O)[O-])\c4ccccc14	278200	nM
P42574	CHEMBL3805109	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3ccccc3[N+](=O)[O-])\c4ccccc14	296500	nM
P42574	CHEMBL3805088	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3ccc(Cl)cc3)\c4ccccc14	52340	nM
P42574	CHEMBL3805488	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3ccccc3Cl)\c4ccccc14	63200	nM
P42574	CHEMBL3805483	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3ccc(Br)cc3)\c4ccccc14	121700	nM
P42574	CHEMBL3805916	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3cccc(Br)c3)\c4ccccc14	129500	nM
P42574	CHEMBL3805458	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3ccccc3Br)\c4ccccc14	132400	nM
P42574	CHEMBL3806253	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3ccc(C)cc3)\c4ccccc14	375300	nM
P42574	CHEMBL3805593	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3cccc(C)c3)\c4ccccc14	310000	nM
P42574	CHEMBL3805833	CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)c3ccccc3C)\c4ccccc14	350600	nM
P42574	CHEMBL3805972	COc1ccc(cc1)c2ccc(C(=O)N\N=C\3/C(=O)N(C)c4ccccc34)c(C)n2	487200	nM
P42574	CHEMBL3805517	COc1cccc(c1)c2ccc(C(=O)N\N=C\3/C(=O)N(C)c4ccccc34)c(C)n2	547000	nM
P42574	CHEMBL3805045	COc1ccccc1c2ccc(C(=O)N\N=C\3/C(=O)N(C)c4ccccc34)c(C)n2	551500	nM
P42574	CHEMBL3805555	COc1ccc(cc1OC)c2ccc(C(=O)N\N=C\3/C(=O)N(C)c4ccccc34)c(C)n2	598600	nM
P42574	CHEMBL3805679	COc1cc(cc(OC)c1OC)c2ccc(C(=O)N\N=C\3/C(=O)N(C)c4ccccc34)c(C)n2	674300	nM