canonical_smiles	compound_chembl_id	standard_relation	standard_value	publication_year	document_chembl_id
CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)Nc1cnn(C)c1)CC2	CHEMBL2180421	=	0.9	2013	CHEMBL3638483
O=C(Nc1ccccc1)N1CCc2nc(-c3ccncc3)nc(NCCc3ccccn3)c2C1	CHEMBL2180428	=	47.9	2014	CHEMBL3639330
O=C(Nc1ccccc1)N1CCc2nc(-c3ccncc3)nc(NCc3ccccn3)c2C1	CHEMBL3675608	=	192.4	2014	CHEMBL3639330
O=C(Nc1ccccc1)N1CCc2nc(-c3ccncc3)nc(N3CCc4ccncc4C3)c2C1	CHEMBL3675609	=	161.9	2014	CHEMBL3639330
COc1cccc(C2CN(c3nc(-c4cccnc4)nc4c3CN(C(=O)Nc3ccccc3)CC4)CCN2)c1	CHEMBL3675610	=	153.1	2014	CHEMBL3639330
COC(=O)NCCNc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2	CHEMBL3675611	=	95.3	2014	CHEMBL3639330
O=C(Nc1ccccc1)N1CCc2nc(-c3ccc(F)nc3)nc(NCCc3ccccn3)c2C1	CHEMBL3675612	=	113.6	2014	CHEMBL3639330
CC(C)CC(=O)N1CCc2nc(-c3cncc(-c4cncnc4)c3)nc(N(C)Cc3ccccc3)c2C1	CHEMBL3675613	=	63.0	2014	CHEMBL3639330
CC(C)CC(=O)N1CCc2nc(-c3cncc(-c4cn[nH]c4)c3)nc(N(C)Cc3ccccc3)c2C1	CHEMBL2180430	=	15.0	2014	CHEMBL3639330
O=C(Nc1ccccc1)N1CCc2nc(-c3cccnc3)nc(NCc3cnc(-c4ccccc4)[nH]3)c2C1	CHEMBL3675614	=	2.19	2014	CHEMBL3639330
Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)cn1	CHEMBL3695713	=	0.32	2015	CHEMBL3638607
c1ccc([C@H]2C[C@@H]2COc2cc(NCc3cn[nH]c3)n3nccc3n2)nc1	CHEMBL3695714	=	0.24	2015	CHEMBL3638607
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)n3nccc3n2)nc1	CHEMBL3695715	=	0.012	2015	CHEMBL3638607
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3oc(C)nc3C)n3nccc3n2)nc1	CHEMBL3695716	=	1.3	2015	CHEMBL3638607
Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1	CHEMBL3695717	=	0.11	2015	CHEMBL3638607
Cc1nc(C)c(CNc2cc(C3CC3)nc3ccnn23)s1	CHEMBL3695718	=	9.2	2015	CHEMBL3638607
COc1ccc(CCCCc2cc(NCc3sc(C)nc3C)n3nccc3n2)nc1	CHEMBL3695719	=	0.37	2015	CHEMBL3638607
Cc1nc(C)c(CNc2cc(C(C)C[C@@H]3C[C@H]3c3ccccn3)nc3ccnn23)s1	CHEMBL3695720	=	76.9	2015	CHEMBL3638607
Cc1nc(C)c(CNc2cc(CCC#Cc3ccc4ccccc4n3)nc3ccnn23)s1	CHEMBL3695721	=	0.14	2015	CHEMBL3638607
Cc1nnc(CNc2c(F)c(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1	CHEMBL3695722	=	0.08	2015	CHEMBL3638607
Cc1c(OC[C@H]2C[C@@H]2c2ccccn2)nc2ccnn2c1NCc1cnn(C)c1	CHEMBL3695723	=	2.52	2015	CHEMBL3638607
Cc1ccc([C@H]2C[C@@H]2COc2cc(Oc3ccc(C)nc3)n3nccc3n2)nc1	CHEMBL3695724	=	20.0	2015	CHEMBL3638607
Cc1nc(C)c(CNc2cc(C(=O)NC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc3ccnn23)s1	CHEMBL3695725	=	0.18	2015	CHEMBL3638607
Cc1nc(C)c(CNc2cc(C(=O)NCCc3ccccn3)nc3ccnn23)s1	CHEMBL3695726	=	1.1	2015	CHEMBL3638607
COc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2-c2cnn(CCO)c2)nc1	CHEMBL3699650	=	0.23	2015	CHEMBL3639338
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c2)nc1	CHEMBL3699651	=	0.25	2015	CHEMBL3639338
Cn1cc(-c2cc3ccncc3nc2OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)cn1	CHEMBL3699652	=	0.04	2015	CHEMBL3639338
Cc1ncc(-c2c(C)nn(C)c2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL3699653	=	0.002	2015	CHEMBL3639338
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2/C=C/c2cccnc2)nc1	CHEMBL3699654	=	0.6	2015	CHEMBL3639338
COc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2C2CCCN(C(C)=O)C2)nc1	CHEMBL3699655	=	2.5	2015	CHEMBL3639338
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2CN2CCC(F)(F)C2)nc1	CHEMBL3699656	=	60.8	2015	CHEMBL3639338
Cc1ncc(-c2cnn(C)c2)c(OC[C@H]2C[C@@H]2c2ccn(C)n2)n1	CHEMBL3699657	=	3.2	2015	CHEMBL3639338
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C)nc2)nc1	CHEMBL3699658	=	0.8	2015	CHEMBL3639338
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2nnc(C3CC3)s2)nc1	CHEMBL3699659	=	4.2	2015	CHEMBL3639338
COc1ccc([C@H]2C[C@@H]2COc2nc(C)c(C)nc2-c2cncc(OC)c2)nc1	CHEMBL3699660	=	0.22	2015	CHEMBL3639338
COc1ccc([C@H]2C[C@@H]2COc2ncc(C)cc2-c2cnn3c2CCC3)nc1	CHEMBL3699661	=	0.34	2015	CHEMBL3639338
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2=CCC(O)CC2)nc1	CHEMBL3699662	=	0.15	2015	CHEMBL3639338
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2csc(C)n2)nc1	CHEMBL3699663	=	0.78	2015	CHEMBL3639338
COc1ccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1	CHEMBL2180424	=	87.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(O)c4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3627839	=	22.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(OC)c4C3=O)nc3ccccc3c2=O)cc1	CHEMBL2180426	=	2.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(-c5ncco5)c4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3644275	=	1.8	2014	CHEMBL3638862
CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc(OCc3ccccc3)cc1)C2=O	CHEMBL3644276	=	0.83	2014	CHEMBL3638862
CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc(O)cc1)C2=O	CHEMBL3644277	=	0.28	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3627841	=	0.15	2014	CHEMBL3638862
COc1ccc(-n2c(CCNC(=O)c3ccccc3OC)nc3ccccc3c2=O)cc1	CHEMBL3644278	=	140.0	2014	CHEMBL3638862
Cc1ccc2c(=O)n(-c3ccc4cn[nH]c4c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1	CHEMBL3644273	=	0.1	2014	CHEMBL3638862
Cc1ccc2c(=O)n(-c3ccc4cnn(C)c4c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1	CHEMBL3644274	=	0.024	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ncccc3c2=O)cc1	CHEMBL3644255	=	39.0	2014	CHEMBL3638862
O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1cccc(-c2ccccc2)c1	CHEMBL3644256	=	14.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(Cl)ccc3c2=O)cc1	CHEMBL3644257	=	77.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(C)c4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3627819	=	61.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4ccc(C)cc4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3644258	=	26.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(C#N)c4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3644259	=	33.0	2014	CHEMBL3638862
COc1ccc2c(=O)n(-c3cccc(C)c3)c(CCN3C(=O)c4cccc(OC)c4C3=O)nc2c1	CHEMBL3644260	=	0.7	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(OC)c4C3=O)nc3cc(C)ccc3c2=O)cc1	CHEMBL3644261	=	1.2	2014	CHEMBL3638862
COc1ccc(-n2c(CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)nc3ccccc3c2=O)cc1	CHEMBL3644262	=	39.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCNC(=O)Nc3ccccc3-c3ccccc3)nc3ccccc3c2=O)cc1	CHEMBL3644263	=	48.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc3ncccc3c2=O)cc1	CHEMBL3627845	=	0.56	2014	CHEMBL3638862
CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc(OCCF)cc1)C2=O	CHEMBL3639431	=	0.19	2014	CHEMBL3638862
COc1ccc2c(=O)n(-c3ccc4cc[nH]c4c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1	CHEMBL3644264	=	0.055	2014	CHEMBL3638862
COc1ccc2c(=O)n(-c3cccc(C)c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1	CHEMBL3644265	=	0.077	2014	CHEMBL3638862
CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ncccc3c(=O)n1-c1ccc3cn[nH]c3c1)C2=O	CHEMBL3644266	=	0.48	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(-c5ccncc5)c4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3627844	=	0.073	2014	CHEMBL3638862
COc1ccc(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1	CHEMBL2180425	=	1900.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3627815	=	219.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(OCC(F)(F)F)c4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3644267	=	0.79	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(OCC5CC5)c4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3644268	=	1.3	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(OC5CCC5)c4C3=O)nc3ccccc3c2=O)cc1	CHEMBL3644269	=	1.0	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(OCC(F)(F)F)c4C3=O)nc3nc(C)ccc3c2=O)cc1	CHEMBL3644270	=	2.08	2014	CHEMBL3638862
COc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc3cnn(C)c3c1)C2=O	CHEMBL2221287	=	0.95	2014	CHEMBL3638862
COc1ccc(-n2c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc3cc(C)ccc3c2=O)cc1	CHEMBL3644271	=	0.1	2014	CHEMBL3638862
CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1C1CCCCC1)C2=O	CHEMBL3644272	=	11.0	2014	CHEMBL3638862
Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccccn3)nc(Cl)c2C)s1	CHEMBL3665945	=	0.019	2014	CHEMBL3638675
Cc1c(Cl)nc(OCCCc2ccc3ncccc3n2)nc1NCc1cnn(C)c1	CHEMBL3665946	=	2.1	2014	CHEMBL3638675
Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4[nH]3)nc(Cl)c2C)s1	CHEMBL3622899	=	0.023	2014	CHEMBL3638675
Cc1nc(C)c(CNc2nc(OCCCc3ccc4ccccc4n3)nc(Cl)c2C)s1	CHEMBL3622898	=	0.008	2014	CHEMBL3638675
Cc1nc(C)c(CNc2nc(OCCOc3ccc4cccnc4n3)nc(Cl)c2C)s1	CHEMBL3622900	=	0.04	2014	CHEMBL3638675
Cc1c(Cl)nc(OC[C@@H]2C[C@H]2c2ccc3ncccc3n2)nc1NCc1cnn(C)c1	CHEMBL3665947	=	0.019	2014	CHEMBL3638675
Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccc4ccccc4n3)nc(Cl)c2C)s1	CHEMBL3665948	=	0.0006	2014	CHEMBL3638675
Cc1c(Cl)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1NCc1cnn(C)c1	CHEMBL3665949	=	0.44	2014	CHEMBL3638675
COc1nc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)nc(NCc2cnn(C)c2)c1C	CHEMBL3665950	=	0.17	2014	CHEMBL3638675
Cn1cc(CNc2cc(C#N)nc(OC[C@H]3C[C@@H]3c3ccccn3)n2)cn1	CHEMBL3665951	=	35.0	2014	CHEMBL3638675
Cc1nc(C)c(CNc2nc(OCCc3ccccn3)nc(C#N)c2C)s1	CHEMBL3665952	=	100.0	2014	CHEMBL3638675
CSc1nc(OC[C@H]2C[C@@H]2c2ccccn2)nc(NCc2cnn(C)c2)c1C	CHEMBL3665953	=	0.17	2014	CHEMBL3638675
Cc1c(NCc2cnn(C)c2)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1N(C)C	CHEMBL3665954	=	53.0	2014	CHEMBL3638675
Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)ncc2C)s1	CHEMBL3665955	=	0.058	2014	CHEMBL3638675
Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccccn3)nc(-c3ncco3)c2C)s1	CHEMBL3665956	=	6.4	2014	CHEMBL3638675
Cc1c(Cl)nc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)nc1NCc1nc(C)n(C)n1	CHEMBL3665957	=	8.1	2014	CHEMBL3638675
Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)o1	CHEMBL3665958	=	0.49	2014	CHEMBL3638675
Cc1nc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1	CHEMBL3665959	=	2.2	2014	CHEMBL3638675
COc1ccc([C@H]2C[C@@H]2COc2nc(Cl)c(C)c(NCc3cnn(C)n3)n2)nc1	CHEMBL3665960	=	0.77	2014	CHEMBL3638675
Cc1cc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1	CHEMBL3665961	=	0.0032	2014	CHEMBL3638675
Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1	CHEMBL3659059	=	0.03	2015	CHEMBL3639234
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)nc(C)n2)nc1	CHEMBL3659078	=	0.04	2015	CHEMBL3639234
Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc(C)n2)n(C)n1	CHEMBL3659060	=	0.6	2015	CHEMBL3639234
COc1cccnc1[C@H]1C[C@@H]1COc1cc(NCc2cnn(C)c2)nc(C)n1	CHEMBL3659061	=	3.6	2015	CHEMBL3639234
Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccc(C(F)F)cn2)n1	CHEMBL3659062	=	3.5	2015	CHEMBL3639234
Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)n1	CHEMBL3659063	=	0.02	2015	CHEMBL3639234
Cc1nc(NCc2nnc(C3CC3)s2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1	CHEMBL3659064	=	3.8	2015	CHEMBL3639234
Cc1nc(NCc2sc(C)nc2C)c(C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1	CHEMBL3659065	=	41.7	2015	CHEMBL3639234
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)nc(N)n2)nc1	CHEMBL3659066	=	0.05	2015	CHEMBL3639234
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)nc(NCc3nnc(C)s3)c2Cl)nc1	CHEMBL3659067	=	3.9	2015	CHEMBL3639234
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(CF)n2)s1	CHEMBL3659068	=	1.1	2015	CHEMBL3639234
Cc1nc(C)c(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(C3CC3)n2)s1	CHEMBL3659069	=	1.6	2015	CHEMBL3639234
COc1ccc([C@H]2C[C@@H]2COc2nc(N)nc(NCc3nnc(C)s3)c2F)nc1	CHEMBL3659070	=	0.5	2015	CHEMBL3639234
Cc1nnc(CNc2nc(N)nc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)c2F)s1	CHEMBL3659071	=	3.6	2015	CHEMBL3639234
Cc1nnc(CNc2nc(N)nc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)c2F)s1	CHEMBL3659072	=	0.09	2015	CHEMBL3639234
Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cn2)n1	CHEMBL3659073	=	1.0	2015	CHEMBL3639234
Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(C3CC3)cn2)n1	CHEMBL3659074	=	0.08	2015	CHEMBL3639234
Cc1nc(NCc2cc(C)on2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1	CHEMBL3659075	=	1.1	2015	CHEMBL3639234
Cc1nc(NCc2ccncc2C)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1	CHEMBL3659076	=	5.3	2015	CHEMBL3639234
Cc1ccc([C@H]2C[C@@H]2COc2nc(N)nc(NCc3nnc(C)s3)c2C#N)nc1	CHEMBL3659077	=	1.6	2015	CHEMBL3639234
Cc1ccc(NC(=O)N2CCc3nc(N4CCCC4)nc(OC(C)C)c3C2)cn1	CHEMBL3659648	=	31.4	2013	CHEMBL3638483
COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1cnn3ccccc13)CC2	CHEMBL2180423	=	0.93	2013	CHEMBL3638483
COC[C@H](C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)Nc1ccc(C)nc1)CC2	CHEMBL3659649	=	0.92	2013	CHEMBL3638483
COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2	CHEMBL2204538	=	0.99	2013	CHEMBL3638483
COCCOc1nc(-c2ccc(C)nc2)nc2c1CN(C(=O)c1cnn3ccccc13)CC2	CHEMBL3659650	=	12.5	2013	CHEMBL3638483
COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)Oc1ccccc1)CC2	CHEMBL3659651	=	16.8	2013	CHEMBL3638483
COC[C@H](C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2	CHEMBL3659652	=	0.43	2013	CHEMBL3638483
CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(OC4CCN(C)CC4)c3C2)c1	CHEMBL2205203	=	14.0	2013	CHEMBL3638483
CC(C)Oc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccc3ccn(C)c3c1)CC2	CHEMBL3659653	=	9.2	2013	CHEMBL3638483
Cc1ccc(NC(=O)N2CCc3nc(-c4ccc(Cl)nc4)nc(OC(C)C)c3C2)cn1	CHEMBL3659654	=	0.6	2013	CHEMBL3638483
COc1cc(NC(=O)N2CCc3nc(-c4ccc(Cl)nc4)nc(OC4CCOC4)c3C2)ccn1	CHEMBL3659655	=	0.84	2013	CHEMBL3638483
Cc1ccc(C(=O)N2CCc3nc(-c4ccc(Cl)nc4)nc(OC(C)C)c3C2)cn1	CHEMBL3659656	=	9.9	2013	CHEMBL3638483
CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(S(=O)(=O)c1cccnc1)CC2	CHEMBL2180422	=	0.63	2013	CHEMBL3638483
CC(C)Oc1nc(-c2cccnc2)nc2c1CN(c1nc3ccccc3o1)CC2	CHEMBL3659657	=	15.9	2013	CHEMBL3638483
CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1cn(C)cn1)CC2	CHEMBL2220083	=	4.55	2013	CHEMBL3638483
COc1ccc2[nH]c(C(=O)N3CCc4nc(-c5cccnc5)nc(OC(C)C)c4C3)cc2n1	CHEMBL3659658	=	0.8	2013	CHEMBL3638483
COC(=O)Cn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)ccc1=O	CHEMBL4113671	=	4.389	2016	CHEMBL3886562
COc1ccc(Cc2nc(C)nn2-c2cc(C#Cc3ccc4ccccc4n3)nc(C)n2)cc1OC	CHEMBL3955247	=	0.023	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(CCc3ccc4ccccc4n3)nc(C)n2)cc1OC	CHEMBL3937178	=	0.004	2015	CHEMBL3886390
COc1ccc(COc2cc(-n3nc(C)nc3Cc3ccc(OC)c(OC)c3)nc(C)n2)nc1	CHEMBL3970286	=	3.3	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(CCc3ccc(C)cn3)nc(C)n2)cc1OC	CHEMBL3931733	=	0.14	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(C#Cc3ccc4ccccc4n3)nc(C)n2)nc1OC	CHEMBL3958142	=	0.073	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(CCc3ccc4ccccc4n3)nc(C)n2)nc1OC	CHEMBL3983406	=	0.028	2015	CHEMBL3886390
Cc1nc(OCc2ccc3ccccc3n2)cc(-n2nc(C)nc2Cc2nc(C)sc2C)n1	CHEMBL3946076	=	62.0	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(/C=C/c3ccc4ncccc4n3)nc(C)n2)cc1OC	CHEMBL3960405	=	0.01	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(C#Cc3ccc4ncccc4n3)nc(C)n2)cc1OC	CHEMBL3967410	=	0.82	2015	CHEMBL3886390
COc1ncc(Cc2nc(C)nn2-c2cc(CCc3ccc4ccccc4n3)nc(C)n2)nc1OC	CHEMBL3896176	=	0.056	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(CCc3ccc4ncccc4n3)nc(C)n2)cc1OC	CHEMBL3972719	=	0.027	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(/C=C/c3ccc4ccccc4n3)nc(C)n2)cc1OC	CHEMBL3980754	=	0.002	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(/C=C/c3ccccn3)nc(C)n2)cc1OC	CHEMBL3910671	=	0.002	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(/C=C/c3ccc(C)cn3)nc(C)n2)cc1OC	CHEMBL3895140	=	0.11	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nc(C)no3)nc(C)n2)cc1OC	CHEMBL3950983	=	248.0	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc([C@H]3C[C@@H]3c3nc4ccccc4[nH]3)nc(C)n2)cc1OC	CHEMBL3926763	=	0.027	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc([C@@H]3C[C@H]3c3nc4ccccc4[nH]3)nc(C)n2)cc1OC	CHEMBL4110592	=	0.005	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nnc(C)o3)nc(C)n2)cc1OC	CHEMBL3942245	=	88.0	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nc4ccccc4n3C)nc(C)n2)cc1OC	CHEMBL3914246	=	0.003	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nnc(C)s3)nc(C)n2)cc1OC	CHEMBL3936818	=	9.8	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3ccc4ncccc4n3)nc(C)n2)cc1OC	CHEMBL3890836	=	0.068	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3ccc(C)cn3)nc(C)n2)cc1OC	CHEMBL3904978	=	0.21	2015	CHEMBL3886390
Cc1nc(C2CC2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL3934377	=	3.5	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL4112502	=	1.4	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nc4ccccc4[nH]3)nc(C)n2)cc1OC	CHEMBL3920660	=	0.005	2015	CHEMBL3886390
Cc1nc(C2CC2c2nnc(C)o2)cc(-n2nc(C)nc2C)n1	CHEMBL3948455	=	918.0	2015	CHEMBL3886390
Cc1nc(C2CC2c2nnc(C)s2)cc(-n2nc(C)nc2C)n1	CHEMBL3911724	=	124.0	2015	CHEMBL3886390
Cc1nc(C2CC2c2nc3ccccc3[nH]2)cc(-n2nc(C)nc2C)n1	CHEMBL3943128	=	6.8	2015	CHEMBL3886390
COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3cc4n(n3)CCC4)nc(C)n2)cc1OC	CHEMBL3906186	=	0.5	2015	CHEMBL3886390
COc1ccc(C2CC2c2cc(-n3nc(C)nc3Cc3ccc(OC)c(OC)c3)nc(C)n2)nc1	CHEMBL3934159	=	0.39	2015	CHEMBL3886390
Cc1ccc(C2CC2c2cc(-n3nc(C)nc3Cc3ccccc3)nc(C)n2)nc1	CHEMBL3936634	=	0.21	2015	CHEMBL3886390
Cc1ccc(CCc2cc(-n3nc(C)nc3C)nc(C)n2)nc1	CHEMBL3957122	=	0.14	2015	CHEMBL3886390
Cc1nc(C2CC2c2nc3ccccc3n2-c2ccccc2)cc(-n2nc(C)nc2C)n1	CHEMBL3937884	=	38.8	2015	CHEMBL3886390
Cc1nc(C2CC2c2nc3ccccc3n2Cc2ccccc2)cc(-n2nc(C)nc2C)n1	CHEMBL3976016	=	13.4	2015	CHEMBL3886390
Cc1nc(C2CC2c2nc3ccc(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1	CHEMBL3943266	=	14.2	2015	CHEMBL3886390
Cc1nc(C2CC2c2nc3cc(F)c(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1	CHEMBL3890466	=	25.1	2015	CHEMBL3886390
Cc1nc(C2CC2c2nc3cccc(C)c3[nH]2)cc(-n2nc(C)nc2C)n1	CHEMBL3959540	=	16.8	2015	CHEMBL3886390
Cc1nc(C2CC2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C(C)C)n1	CHEMBL3911911	=	1.7	2015	CHEMBL3886390
Cc1nc(C2CC2c2nc3ccc(Cl)cc3[nH]2)cc(-n2nc(C)nc2C)n1	CHEMBL3905571	=	30.7	2015	CHEMBL3886390
Cc1ccc2nc(C3CC3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1	CHEMBL3924344	=	34.9	2015	CHEMBL3886390
COc1ccc2nc(C3CC3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1	CHEMBL3952655	=	30.5	2015	CHEMBL3886390
Cc1nc(C2CC2c2nc3ccc(OC(F)F)cc3[nH]2)cc(-n2nc(C)nc2C)n1	CHEMBL3968402	=	58.2	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(C#N)n2)n1	CHEMBL4115603	=	0.085	2015	CHEMBL3886390
CNc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL4107845	=	0.77	2015	CHEMBL3886390
CCOc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL4108061	=	0.54	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(OCCO)n2)n1	CHEMBL4107251	=	1.09	2015	CHEMBL3886390
COCCOc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL4111261	=	1.08	2015	CHEMBL3886390
COC[C@@H](C)Oc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL4111026	=	0.63	2015	CHEMBL3886390
COC[C@H](C)Oc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL3935319	=	0.9	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccc(F)cc3[nH]2)cc(-n2nc(C)nc2C)n1	CHEMBL4112484	=	9.2	2015	CHEMBL3886390
CSc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL4109746	=	0.37	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2CC2CCCCO2)cc(-n2nc(C)nc2C)n1	CHEMBL4110191	=	6.0	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C(C)C)cc(-n2nc(C)nc2C)n1	CHEMBL4109621	=	13.6	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2CCN(C)C)cc(-n2nc(C)nc2C)n1	CHEMBL4112822	=	14.2	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2Cc2ccccn2)cc(-n2nc(C)nc2C)n1	CHEMBL4107527	=	13.1	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2Cc2cccnc2)cc(-n2nc(C)nc2C)n1	CHEMBL4112076	=	9.9	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2CC2CCCO2)cc(-n2nc(C)nc2C)n1	CHEMBL4111011	=	13.0	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2Cc2ccncc2)cc(-n2nc(C)nc2C)n1	CHEMBL4106970	=	18.3	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2cnc(C)n2)n1	CHEMBL4107456	=	9.0	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2O)n1	CHEMBL3949922	>	75.0	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C2CCCCC2)n1	CHEMBL3978973	=	2.5	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ncccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL3907625	>	75.0	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2-c2cccnc2)n1	CHEMBL3949948	=	12.8	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2-c2ccccn2)n1	CHEMBL3895161	>	75.0	2015	CHEMBL3886390
CCc1nc(C)nn1-c1cc([C@H]2C[C@@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL3923133	=	0.96	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C2CCN(C(=O)OC(C)(C)C)CC2)n1	CHEMBL3919734	>	75.0	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C2CC2)n1	CHEMBL3950949	=	2.9	2015	CHEMBL3886390
COCc1nc(C)nn1-c1cc([C@H]2C[C@@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL3912270	=	1.4	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2CN(C)C)n1	CHEMBL3982203	=	10.6	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(Br)nc2C)n1	CHEMBL4111494	=	2.0	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3[nH]2)cc(-n2nc(C)nc2C)n1	CHEMBL4114845	=	2.6	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3[nH]2)cc(-n2nc(C)nc2C)n1	CHEMBL3923456	=	38.0	2015	CHEMBL3886390
CCOc1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL4108200	=	0.49	2015	CHEMBL3886390
CCc1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL4107645	=	0.4	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2CF)n1	CHEMBL4111290	=	3.1	2015	CHEMBL3886390
COCc1ncnn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL4114516	=	5.3	2015	CHEMBL3886390
CO[C@@H](C)c1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL3935322	=	2.1	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C2CCN(C)CC2)n1	CHEMBL4110282	=	3.9	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C2CCOCC2)n1	CHEMBL4107952	=	1.1	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C(C)(C)O)n1	CHEMBL4113615	=	4.2	2015	CHEMBL3886390
Cc1nc(CCc2ccc3ncccc3n2)cc(-n2nc(C)nc2C)n1	CHEMBL3899392	=	73.0	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C(C)(C)C)n1	CHEMBL4115575	=	13.8	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@@H]2CCCO2)n1	CHEMBL4115127	=	5.8	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2CCF)cc(-n2nc(C)nc2C)n1	CHEMBL3987143	>	75.0	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2CCF)cc(-n2nc(C)nc2C)n1	CHEMBL3987143	=	2.9	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3s2)cc(-n2nc(C)nc2C)n1	CHEMBL3898312	=	69.5	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nnc(-c3ccn(C)n3)s2)cc(-n2nc(C)nc2C)n1	CHEMBL3926385	>	75.0	2015	CHEMBL3886390
CCc1nc(CC)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(C)n2)n1	CHEMBL4108215	=	2.8	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2cc3n(n2)CCCC3)cc(-n2nc(C)nc2C)n1	CHEMBL4108611	=	60.7	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL3900334	=	14.2	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(C(F)(F)F)n2)n1	CHEMBL3902562	=	1.4	2015	CHEMBL3886390
Cc1cc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL4107338	=	18.4	2015	CHEMBL3886390
COc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL3934608	=	1.3	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(C3CC3)n2)n1	CHEMBL3956689	=	0.68	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(OC(C)C)n2)n1	CHEMBL3978832	=	0.62	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(N(C)C)n2)n1	CHEMBL3946887	=	1.2	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(NC(C)C)n2)n1	CHEMBL3922587	=	1.9	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(N3CCCC3)n2)n1	CHEMBL3982870	=	1.2	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(NC(C)(C)C)n2)n1	CHEMBL3974865	=	1.7	2015	CHEMBL3886390
CCc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1	CHEMBL3945473	=	1.2	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(OCC3CC3)n2)n1	CHEMBL3970392	=	1.1	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(N3CCN(C)CC3)n2)n1	CHEMBL3944299	=	3.1	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(OCCF)n2)n1	CHEMBL3890395	=	1.2	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(N)n2)n1	CHEMBL3959469	=	4.2	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(OCC(F)(F)F)n2)n1	CHEMBL3892748	=	1.5	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(O)n2)n1	CHEMBL4113775	=	19.0	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(N3CCNCC3)n2)n1	CHEMBL3938983	=	2.0	2015	CHEMBL3886390
Cc1nc([C@@H]2C[C@H]2c2ccc3ccccc3n2)cc(-n2nc(C)nc2C)n1	CHEMBL4109573	=	6.0	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)cnn2)n1	CHEMBL4106823	=	38.0	2015	CHEMBL3886390
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3s2)cc(-n2nc(C)nc2C)n1	CHEMBL3898312	=	43.0	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(C(N)=O)n2)n1	CHEMBL3971216	=	1.6	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(C(C)(C)O)n2)n1	CHEMBL4112619	=	0.88	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(N3CC(F)(F)C3)n2)n1	CHEMBL4113388	=	0.75	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(N3CCC[C@H]3C)n2)n1	CHEMBL4108151	=	0.37	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(N3CC[C@@H](F)C3)n2)n1	CHEMBL4110889	=	0.58	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(N3CC(C)(O)C3)n2)n1	CHEMBL4110947	=	1.1	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(OC3CCC3)n2)n1	CHEMBL4108605	=	0.42	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(OCC3(C)CC3)n2)n1	CHEMBL4109751	=	0.84	2015	CHEMBL3886390
Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(OCC3CCO3)n2)n1	CHEMBL4111365	=	1.3	2015	CHEMBL3886390
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2[C@@H](C)O)n1	CHEMBL4110385	=	0.23	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2[C@@H](C)O)n1	CHEMBL4110385	=	1.2	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C(F)(F)F)n1	CHEMBL3915808	=	0.11	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C(F)(F)F)n1	CHEMBL3915808	=	1.0	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C(F)(F)F)n1	CHEMBL3915808	=	0.06	2016	CHEMBL3886902
CCC(O)c1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3909277	=	0.51	2016	CHEMBL3886902
CCC(O)c1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3909277	=	1.8	2016	CHEMBL3886902
CCC(O)c1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3909277	=	0.41	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C(C)C)n1	CHEMBL3895961	=	0.41	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C(C)C)n1	CHEMBL3895961	=	0.34	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C(C)C)n1	CHEMBL3895961	=	0.77	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C2CC2)n1	CHEMBL3929295	=	0.36	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C2CC2)n1	CHEMBL3929295	=	0.17	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C2CC2)n1	CHEMBL3929295	=	2.6	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)CC(F)(F)F)n1	CHEMBL3891104	=	3.2	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)CC(F)(F)F)n1	CHEMBL3891104	=	4.5	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)CC(F)(F)F)n1	CHEMBL3891104	=	2.5	2016	CHEMBL3886902
Cc1nc(C(C)O)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)n1	CHEMBL3895653	=	0.83	2016	CHEMBL3886902
Cc1nc(C(C)O)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)n1	CHEMBL3895653	=	0.53	2016	CHEMBL3886902
Cc1nc(C(C)O)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)n1	CHEMBL3895653	=	1.0	2016	CHEMBL3886902
COc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(C)O)n1	CHEMBL3900553	=	1.2	2016	CHEMBL3886902
Cc1nc(C(C)O)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)n1	CHEMBL3890741	=	0.21	2016	CHEMBL3886902
Cc1nc(C(C)O)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)n1	CHEMBL3890741	=	0.13	2016	CHEMBL3886902
Cc1nc(C(C)O)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)n1	CHEMBL3890741	=	0.39	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C(F)F)n1	CHEMBL3925729	=	0.65	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)C(F)F)n1	CHEMBL3925729	=	3.0	2016	CHEMBL3886902
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(O)CF)n1	CHEMBL3938187	=	0.34	2016	CHEMBL3886902
Cc1nc(C2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@H](C)O)n1	CHEMBL3962106	=	0.74	2016	CHEMBL3886902
Cc1nc(C2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@@H](C)O)n1	CHEMBL4107014	=	1.1	2016	CHEMBL3886902
Cc1nc(C2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@H](O)c2ccccc2)n1	CHEMBL4113817	=	0.09	2016	CHEMBL3886902
Cc1nc(C2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@@H](O)c2ccccc2)n1	CHEMBL4113138	=	0.62	2016	CHEMBL3886902
Cc1nc([C@H](C)O)n(-c2cc(C3C[C@H]3c3nc4ccccc4n3C)nc(C(F)(F)F)n2)n1	CHEMBL3948038	=	2.8	2016	CHEMBL3886902
Cc1nc([C@H](C)O)n(-c2cc(C3C[C@H]3c3nc4ccccc4n3C)nc(C3CC3)n2)n1	CHEMBL3892150	=	0.36	2016	CHEMBL3886902
CCC(O)c1nc(C)nn1-c1cc(C2C[C@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL4107580	=	1.3	2016	CHEMBL3886902
CCC(O)c1nc(C)nn1-c1cc(C2C[C@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL4107580	=	0.55	2016	CHEMBL3886902
CCC(O)c1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL4106724	=	0.59	2016	CHEMBL3886902
Cc1nc(C2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C(O)C(F)(F)F)n1	CHEMBL4109476	=	0.55	2016	CHEMBL3886902
Cc1nc(C2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C(O)C(F)(F)F)n1	CHEMBL4109476	=	0.58	2016	CHEMBL3886902
Cc1nc(C2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C(O)C(F)(F)F)n1	CHEMBL4109476	=	0.92	2016	CHEMBL3886902
Cc1nc(C2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C(O)C(C)C)n1	CHEMBL4111186	=	0.47	2016	CHEMBL3886902
Cc1nc(C2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C(C)(C)O)n1	CHEMBL4113903	=	4.2	2016	CHEMBL3886902
CO[C@H](C)c1nc(C)nn1-c1cc(C2C[C@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL4110017	=	2.1	2016	CHEMBL3886902
COCc1nc(C)nn1-c1cc(C2C[C@H]2c2nc3ccccc3n2C)nc(C)n1	CHEMBL4112279	=	0.49	2016	CHEMBL3886902
Cc1nc(-n2nc(C)nc2C)cc(C2(O)CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3940713	>	75.0	2016	CHEMBL3886600
Cc1nc(-n2nc(C)nc2C)cc(C2(F)CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3955796	=	88.0	2016	CHEMBL3886600
Cc1nc(C2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3928177	=	2.8	2016	CHEMBL3886600
Cc1nc(C2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3928177	=	4.7	2016	CHEMBL3886600
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3893152	=	2.1	2016	CHEMBL3886786
Cc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)c1	CHEMBL3925656	=	0.61	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cccn2)n1	CHEMBL3985424	=	2.5	2016	CHEMBL3886786
COc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cc(C)cn2)n1	CHEMBL3920174	=	0.82	2016	CHEMBL3886786
Cc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)c1	CHEMBL3947970	=	1.2	2016	CHEMBL3886786
Cc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)c1	CHEMBL3911235	=	0.53	2016	CHEMBL3886786
Cc1cc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1	CHEMBL3935613	=	8.6	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cc(C)c(C)n2)n1	CHEMBL3976868	=	0.63	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)c(C)c2C)n1	CHEMBL3947591	=	0.93	2016	CHEMBL3886786
Cc1cc(C(F)(F)F)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1	CHEMBL3984948	=	4.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2ccc(C(F)(F)F)n2)n1	CHEMBL3959740	=	0.76	2016	CHEMBL3886786
COc1ccn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1	CHEMBL3933183	=	4.7	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2ccc(C3CC3)n2)n1	CHEMBL3905171	=	0.74	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2ccc(C(C)C)n2)n1	CHEMBL3971890	=	0.65	2016	CHEMBL3886786
CCc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)c1	CHEMBL3910729	=	3.4	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cc(C(F)(F)F)cn2)n1	CHEMBL3911815	=	2.7	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cc(C#N)cn2)n1	CHEMBL3981776	=	4.2	2016	CHEMBL3886786
COc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)c1	CHEMBL3904064	=	3.2	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cc(CO)cn2)n1	CHEMBL3932062	=	8.3	2016	CHEMBL3886786
COc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cc(C(C)O)cn2)n1	CHEMBL3916584	=	37.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C(F)(F)F)nc2C)n1	CHEMBL3941063	=	7.0	2016	CHEMBL3886786
CCc1nc(CC)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1	CHEMBL3889666	=	3.3	2016	CHEMBL3886786
CSc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3917672	=	0.2	2016	CHEMBL3886786
COC(=O)c1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3895138	=	1.8	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(CC#N)n2)n1	CHEMBL3926635	=	1.3	2016	CHEMBL3886786
CCOC(=O)Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3896310	=	3.1	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nncc2C)n1	CHEMBL3924314	=	8.5	2016	CHEMBL3886786
Cc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1	CHEMBL3978899	=	1.7	2016	CHEMBL3886786
Cc1cn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)nn1	CHEMBL3946428	=	3.1	2016	CHEMBL3886786
Cc1cn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)nn1	CHEMBL3970642	=	5.6	2016	CHEMBL3886786
Cc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)n1	CHEMBL3941084	=	1.2	2016	CHEMBL3886786
Cc1cn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)nn1	CHEMBL3922184	=	1.1	2016	CHEMBL3886786
Cc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)n1	CHEMBL3969592	=	0.54	2016	CHEMBL3886786
COc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2ncc(C)n2)n1	CHEMBL3983761	=	1.4	2016	CHEMBL3886786
CCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3955116	=	0.81	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C2CC2)n1	CHEMBL3986025	=	4.5	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C2CCOCC2)n1	CHEMBL3982758	=	2.2	2016	CHEMBL3886786
CCCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3922316	=	0.41	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C(C)C)n1	CHEMBL3950056	=	3.1	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C[C@H](C)O)n1	CHEMBL3927730	=	2.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C[C@@H](C)O)n1	CHEMBL4114851	=	1.0	2016	CHEMBL3886786
COCCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3909129	=	1.9	2016	CHEMBL3886786
COC(=O)CCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3950441	=	0.49	2016	CHEMBL3886786
CCOC(=O)Cc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3921094	=	2.6	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C2CCCCC2)n1	CHEMBL3945472	=	2.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2COc2ccccc2)n1	CHEMBL3979544	=	1.2	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C2CC(=O)N(C)C2)n1	CHEMBL3910763	=	3.9	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2CN2CCCC2=O)n1	CHEMBL3963536	=	0.26	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2-c2ccccc2)n1	CHEMBL3972113	=	6.8	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2-c2ccccc2Cl)n1	CHEMBL3907196	=	0.35	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2-c2ccccc2F)n1	CHEMBL3937405	=	1.2	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2-c2cccnc2)n1	CHEMBL3959432	=	7.5	2016	CHEMBL3886786
Cc1cnc(-c2nc(C)nn2-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)cn1	CHEMBL3928401	=	26.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2-c2ccc(C#N)cc2)n1	CHEMBL3963908	=	16.0	2016	CHEMBL3886786
Cc1ccc(-c2nc(C)nn2-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)cn1	CHEMBL3922991	=	10.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2-c2c(F)cccc2F)n1	CHEMBL3957225	=	0.24	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2Cc2cc(F)ccc2F)n1	CHEMBL3908415	=	0.065	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2Cc2ccc(F)cc2)n1	CHEMBL3901170	=	0.12	2016	CHEMBL3886786
COCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3925703	=	1.5	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)n1	CHEMBL3986457	=	1.1	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)n1	CHEMBL3916699	=	0.46	2016	CHEMBL3886786
COc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3948975	=	0.76	2016	CHEMBL3886786
COc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C2CC2)n1	CHEMBL3911279	=	1.8	2016	CHEMBL3886786
CCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(OC)n1	CHEMBL3943656	=	0.4	2016	CHEMBL3886786
COCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C2CC2)n1	CHEMBL3973158	=	2.5	2016	CHEMBL3886786
COCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C(F)(F)F)n1	CHEMBL3934680	=	0.94	2016	CHEMBL3886786
CCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C(F)(F)F)n1	CHEMBL3958664	=	0.28	2016	CHEMBL3886786
Cc1nc(C2CC2)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)n1	CHEMBL3965563	=	1.4	2016	CHEMBL3886786
Cc1nc(C2CCOCC2)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)n1	CHEMBL3963280	=	1.8	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(OC(C)C)n2)n1	CHEMBL3910784	=	0.38	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(OCc3ccno3)n2)n1	CHEMBL3973656	=	0.4	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(OCc3nccs3)n2)n1	CHEMBL3964101	=	0.28	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(OCc3ccnn3C)n2)n1	CHEMBL3928715	=	0.13	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(OCc3ccon3)n2)n1	CHEMBL3896266	=	0.49	2016	CHEMBL3886786
Cc1noc(COc2nc(N3CC(c4nc5ccccc5n4C)C3)cc(-n3nc(C)nc3C)n2)n1	CHEMBL3934150	=	0.7	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(-n3cccn3)n2)n1	CHEMBL3945114	=	0.61	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(-n3ccnc3C)n2)n1	CHEMBL3907291	=	0.26	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(N3CCCC3)n2)n1	CHEMBL3905446	=	0.29	2016	CHEMBL3886786
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C#N)n2)n1	CHEMBL3909918	=	0.28	2016	CHEMBL3886786
Cc1nc(-c2cccnc2C)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3918008	>	100.0	2016	CHEMBL3886786
Cc1nc(-c2cccnc2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3963337	=	76.0	2016	CHEMBL3886786
COc1ncccc1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3891048	=	27.0	2016	CHEMBL3886786
CC(=O)Nc1ncccc1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3919108	=	75.0	2016	CHEMBL3886786
COc1nc(C)ccc1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3963486	=	27.0	2016	CHEMBL3886786
Cc1ccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)c(F)n1	CHEMBL3928009	=	8.0	2016	CHEMBL3886786
Cc1nc(-c2ccncc2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3971107	=	46.0	2016	CHEMBL3886786
Cc1nc(-c2cccc(C(F)(F)F)n2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3899933	=	1.3	2016	CHEMBL3886786
Cc1nc(-c2ccccc2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3978105	=	63.0	2016	CHEMBL3886786
COc1ccccc1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3917501	=	63.0	2016	CHEMBL3886786
Cc1nc(-c2ccccc2F)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3940054	=	15.0	2016	CHEMBL3886786
Cc1nc(-c2ccccc2OC(F)F)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3912079	=	22.0	2016	CHEMBL3886786
Cc1nc(-c2ccccc2O)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3894028	=	30.0	2016	CHEMBL3886786
Cc1nc(-c2ccccc2C(=O)O)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3968636	=	19.0	2016	CHEMBL3886786
Cc1ccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)nc1	CHEMBL3982900	=	1.0	2016	CHEMBL3886786
Cc1nc(-c2ccccn2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3954234	=	1.8	2016	CHEMBL3886786
COc1nc(-c2ccc(C)cn2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3913108	=	1.3	2016	CHEMBL3886786
Cc1ccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)nc1	CHEMBL3979842	=	0.9	2016	CHEMBL3886786
Cc1cccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1	CHEMBL3942277	=	5.5	2016	CHEMBL3886786
Cc1nc(-c2ccc(Cl)cn2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3907759	=	1.1	2016	CHEMBL3886786
COc1cccnc1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1	CHEMBL3936848	=	41.0	2016	CHEMBL3886786
CC(=O)c1ccnc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)c1	CHEMBL3966596	=	31.0	2016	CHEMBL3886786
CC(=O)c1ccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)nc1	CHEMBL3965650	=	9.0	2016	CHEMBL3886786
Cc1nc(-c2ccc(C#N)cn2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3896762	=	2.4	2016	CHEMBL3886786
Cc1nc(-c2ncco2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3951008	=	20.0	2016	CHEMBL3886786
Cc1nc(-c2nccs2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3979959	=	2.2	2016	CHEMBL3886786
Cc1nc(-c2cccnn2)cc(N2CC(c3nc4ccccc4n3C)C2)n1	CHEMBL3979020	=	11.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4[nH]3)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3940312	=	5.8	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4cccc(F)c4[nH]3)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3945414	=	19.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccc(F)cc4[nH]3)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3921960	=	8.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4cccc(C)c4[nH]3)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3915732	=	17.0	2016	CHEMBL3886786
Cc1ccc2nc(C3CN(c4cc(-n5nc(C)nc5C)nc(C)n4)C3)[nH]c2c1	CHEMBL3927371	=	39.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3966142	>	75.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3985324	>	75.0	2016	CHEMBL3886786
CCn1c(C2CN(c3cc(-n4nc(C)nc4C)nc(C)n3)C2)nc2ccccc21	CHEMBL3974646	=	5.9	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3CC#N)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3952694	=	14.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3CCF)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3986987	=	6.2	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3CCO)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3957334	=	6.6	2016	CHEMBL3886786
CCCn1c(C2CN(c3cc(-n4nc(C)nc4C)nc(C)n3)C2)nc2ccccc21	CHEMBL3978011	=	13.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3CCC#N)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3901097	=	5.0	2016	CHEMBL3886786
CCOCCn1c(C2CN(c3cc(-n4nc(C)nc4C)nc(C)n3)C2)nc2ccccc21	CHEMBL3977200	=	8.5	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4ccccc4n3CCCC#N)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3980148	=	9.5	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4c(F)cccc4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3956477	=	17.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4cccc(F)c4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3985146	=	7.1	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4c(C)cccc4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3971023	=	22.0	2016	CHEMBL3886786
Cc1nc(N2CC(c3nc4c(C(F)(F)F)cccc4n3C)C2)cc(-n2nc(C)nc2C)n1	CHEMBL3896347	=	37.0	2016	CHEMBL3886786
Cc1ccc(C2CN(c3cc(-n4nc(C)nc4C)nc(C)n3)C2)nc1	CHEMBL3983799	=	407.0	2016	CHEMBL3886786
O=c1n(CCc2ccc3ccccc3n2)nc2c(Br)cccn12	CHEMBL3928925	=	37.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2cccc(Br)n12	CHEMBL3952599	=	59.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2ccc(Br)cn12	CHEMBL3969968	=	155.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2c(-c3ncco3)cccn12	CHEMBL3902281	=	22.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3ccncc3)n12	CHEMBL3986711	=	4.4	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2cccc(N3CCOCC3)n12	CHEMBL3968865	=	2.5	2016	CHEMBL3886549
COc1ccc(CC(C)(O)c2cccc3nn(CCc4ccc5ccccc5n4)c(=O)n23)cc1	CHEMBL3925817	=	11.0	2016	CHEMBL3886549
O=C(Nc1cccnc1)c1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12	CHEMBL3956792	=	97.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2ccc(-c3cccnc3)cn12	CHEMBL3920317	=	510.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ncccc3n2)nc2c(-c3ccncc3)cccn12	CHEMBL3948137	=	103.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3cccnc3)n12	CHEMBL3947066	=	9.0	2016	CHEMBL3886549
Cc1cccn2c(=O)n(CCc3ccc4ccccc4n3)nc12	CHEMBL3973188	=	74.0	2016	CHEMBL3886549
Cc1ccc(-c2cccc3nn(CCc4ccc5ccccc5n4)c(=O)n23)cc1	CHEMBL3983777	=	17.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3cncs3)n12	CHEMBL3962198	=	23.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3ccccc3)n12	CHEMBL3918027	=	20.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2cccc(N3CCCCC3)n12	CHEMBL3949344	=	19.0	2016	CHEMBL3886549
O=c1n(CCc2ccc3ccccc3n2)nc2cccc(NCc3cccnc3)n12	CHEMBL3955178	=	12.0	2016	CHEMBL3886549
CC(C)(O)c1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12	CHEMBL3927569	=	72.0	2016	CHEMBL3886549
Cn1cc(-c2ccccc2)nc1CCn1nc2cccc(Br)n2c1=O	CHEMBL3963747	=	7.2	2016	CHEMBL3886549
Cn1cc(-c2ccccc2)nc1CCn1nc2cccc(N3CCOCC3)n2c1=O	CHEMBL3933011	=	0.41	2016	CHEMBL3886549
Cn1cc(-c2ccccc2)nc1CCn1nc2cccc(-c3ccncc3)n2c1=O	CHEMBL3971574	=	2.0	2016	CHEMBL3886549
O=c1n(C[C@@H]2C[C@H]2c2ccccn2)nc2cccc(N3CCOCC3)n12	CHEMBL3941992	=	546.0	2016	CHEMBL3886549
Cc1nc(C2C[C@H]2c2cn3ccccc3n2)cc(-n2nc(C)nc2C)n1	CHEMBL4112634	=	5.8	2016	CHEMBL3886768
Cc1nc([C@@H]2C[C@H]2c2cn3c(C)cccc3n2)cc(-n2nc(C)nc2C)n1	CHEMBL4108686	=	8.3	2016	CHEMBL3886768
Cc1ccc2nc([C@@H]3C[C@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)cn2c1	CHEMBL4106717	=	24.0	2016	CHEMBL3886768
Cc1ccn2cc([C@@H]3C[C@H]3c3cc(-n4nc(C)nc4C)nc(C)n3)nc2c1	CHEMBL4110432	=	44.0	2016	CHEMBL3886768
Cc1nc([C@@H]2C[C@H]2c2cn3cccc(C)c3n2)cc(-n2nc(C)nc2C)n1	CHEMBL4114188	>	75.0	2016	CHEMBL3886768
Cc1nc([C@@H]2C[C@H]2c2cn3cccc(F)c3n2)cc(-n2nc(C)nc2C)n1	CHEMBL4107535	>	75.0	2016	CHEMBL3886768
Cc1nc([C@@H]2C[C@H]2c2cn3ccc(F)cc3n2)cc(-n2nc(C)nc2C)n1	CHEMBL4108737	=	13.0	2016	CHEMBL3886768
Cc1nc([C@@H]2C[C@H]2c2nc3ccccn3c2I)cc(-n2nc(C)nc2C)n1	CHEMBL4113419	=	9.0	2016	CHEMBL3886768
Cc1nc([C@@H]2C[C@H]2c2nc3ccccn3c2C)cc(-n2nc(C)nc2C)n1	CHEMBL4114485	=	2.1	2016	CHEMBL3886768
C=Cc1c([C@@H]2C[C@H]2c2cc(-n3nc(C)nc3C)nc(C)n2)nc2ccccn12	CHEMBL4111675	=	3.8	2016	CHEMBL3886768
Cc1nc([C@@H]2C[C@H]2c2nc3ccccn3c2C#N)cc(-n2nc(C)nc2C)n1	CHEMBL4108224	>	75.0	2016	CHEMBL3886768
Cn1ccc([C@H]2C[C@@H]2COc2cc(Br)c(=O)n(C)n2)n1	CHEMBL4111052	=	0.013	2016	CHEMBL3886762
Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)s1	CHEMBL4109656	=	0.089	2016	CHEMBL3886762
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)s1	CHEMBL4108029	=	0.001	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)c(=O)n(C)n2)nc1	CHEMBL4110637	=	0.015	2016	CHEMBL3886762
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)s1	CHEMBL4106622	=	0.157	2016	CHEMBL3886762
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)s1	CHEMBL4110565	=	0.1	2016	CHEMBL3886762
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)s1	CHEMBL4112387	=	0.535	2016	CHEMBL3886762
COc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)cc1	CHEMBL4108758	=	0.074	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)nc1	CHEMBL4106874	=	0.051	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)c(=O)n(C)n2)nc1	CHEMBL4110243	=	0.072	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nc3)c(=O)n(C)n2)nc1	CHEMBL4107568	=	0.121	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nc(C)cs3)c(=O)n(C)n2)nc1	CHEMBL4106974	=	9.89	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnc(C)s3)c(=O)n(C)n2)nc1	CHEMBL4108340	=	0.011	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)nc1	CHEMBL4112063	=	0.003	2016	CHEMBL3886762
COc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)cc1	CHEMBL4115288	=	1.287	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)nc1	CHEMBL4111621	=	0.782	2016	CHEMBL3886762
COc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)cc1	CHEMBL4108030	=	0.502	2016	CHEMBL3886762
Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)n(C)n1	CHEMBL4108300	=	0.099	2016	CHEMBL3886762
Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)cn1	CHEMBL4110233	=	1.261	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)cn1	CHEMBL4109942	=	0.806	2016	CHEMBL3886762
Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)n(C)n1	CHEMBL4112972	=	0.044	2016	CHEMBL3886762
Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)s1	CHEMBL4107418	=	0.175	2016	CHEMBL3886762
Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)cn1	CHEMBL4113421	=	0.478	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)nc1	CHEMBL4111800	=	0.473	2016	CHEMBL3886762
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)s1	CHEMBL4113054	=	0.0819	2016	CHEMBL3886762
Cc1cnc(CNc2cc(OC[C@H]3CC3c3ccn(C)n3)nn(C)c2=O)s1	CHEMBL4107617	=	0.097	2016	CHEMBL3886762
Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)cn1	CHEMBL4115215	=	0.34	2016	CHEMBL3886762
Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)n(C)n1	CHEMBL4111512	=	0.046	2016	CHEMBL3886762
Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)s1	CHEMBL4109417	=	0.109	2016	CHEMBL3886762
Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)cn1	CHEMBL4108370	=	0.552	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ncc(C)s3)c(=O)n(C)n2)nc1	CHEMBL4114627	=	0.007	2016	CHEMBL3886762
Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)s1	CHEMBL4107666	=	0.176	2016	CHEMBL3886762
Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)n(C)n1	CHEMBL4110725	=	0.02	2016	CHEMBL3886762
Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)s1	CHEMBL4107850	=	0.064	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3c(Cl)c(C)nn3C)c(=O)n(C)n2)nc1	CHEMBL4107710	=	0.476	2016	CHEMBL3886762
Cc1nnc(CN(C)c2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)s1	CHEMBL4108412	=	0.911	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cn(C)nc3C)c(=O)n(C)n2)nc1	CHEMBL4114544	=	0.009	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3c(C)nn(C)c3Cl)c(=O)n(C)n2)nc1	CHEMBL4110661	=	1.53	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3c(C)nn(C)c3Cl)c(=O)n(C)n2)nc1	CHEMBL4107185	=	1.58	2016	CHEMBL3886762
Cc1nn(C)c(Cl)c1CNc1cc(OC[C@H]2C[C@@H]2c2ccn(C)n2)nn(C)c1=O	CHEMBL4114070	=	11.76	2016	CHEMBL3886762
Cn1ccc([C@H]2C[C@@H]2COc2cc(NCc3nccs3)c(=O)n(C)n2)n1	CHEMBL4107797	=	8.21	2016	CHEMBL3886762
Cc1nc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)cs1	CHEMBL4107099	>	100.0	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3csc(C)n3)c(=O)n(C)n2)nc1	CHEMBL4107717	=	16.6	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nc3C)c(=O)n(C)n2)nc1	CHEMBL4109273	=	0.003	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)c(C)n1	CHEMBL4115367	=	0.023	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nc3C)c(=O)n(C)n2)nc1	CHEMBL4106713	=	0.007	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)c(C)n1	CHEMBL4107436	=	0.034	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)c(C)n1	CHEMBL4107675	=	0.019	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nn(C)c2=O)c(C)n1	CHEMBL4112137	=	0.021	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)c(C)n1	CHEMBL4106788	=	0.002	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)c(C)n1	CHEMBL4115137	=	0.004	2016	CHEMBL3886762
Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)c(C)n1	CHEMBL4111148	=	0.028	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3c(C)noc3C)c(=O)n(C)n2)nc1	CHEMBL4109029	=	0.38	2016	CHEMBL3886762
Cc1noc(C)c1CNc1cc(OC[C@H]2C[C@@H]2c2ccn(C)n2)nn(C)c1=O	CHEMBL4106504	=	4.1	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccnc(C)c3)c(=O)n(C)n2)nc1	CHEMBL4113100	=	0.122	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cncnc3)c(=O)n(C)n2)nc1	CHEMBL4112211	=	1.704	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nc3)c(=O)n(C)n2)nc1	CHEMBL4115428	=	0.025	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cccnc3C)c(=O)n(C)n2)nc1	CHEMBL4111601	=	0.053	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnccn3)c(=O)n(C)n2)nc1	CHEMBL4109921	=	5.7	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cncc(C)c3)c(=O)n(C)n2)nc1	CHEMBL4110322	=	0.049	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnccc3C)c(=O)n(C)n2)nc1	CHEMBL4107469	=	11.6	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)c(C)n3)c(=O)n(C)n2)nc1	CHEMBL4109227	=	0.41	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nc(C)ccc3F)c(=O)n(C)n2)nc1	CHEMBL4113013	=	55.1	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nc(C)ccc3C)c(=O)n(C)n2)nc1	CHEMBL4113673	=	48.5	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)cn3)c(=O)n(C)n2)nc1	CHEMBL4108308	=	0.019	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ncccc3C)c(=O)n(C)n2)nc1	CHEMBL4110205	=	32.3	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(F)c(C)n3)c(=O)n(C)n2)nc1	CHEMBL4110213	=	5.3	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(Cl)c(C)n3)c(=O)n(C)n2)nc1	CHEMBL4110376	=	1.3	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nn3)c(=O)n(C)n2)nc1	CHEMBL4108702	=	0.039	2016	CHEMBL3886762
COc1ccc(Cn2cc(CNc3cc(OC[C@H]4C[C@@H]4c4ccc(OC)cn4)nn(C)c3=O)c(C)n2)cc1	CHEMBL4114261	=	5.7	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn4ccccc34)c(=O)n(C)n2)nc1	CHEMBL4108629	=	1.1	2016	CHEMBL3886762
CN(C)c1c(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)cnn1C	CHEMBL4115185	=	75.0	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3N(C)C)c(=O)n(C)n2)nc1	CHEMBL4108346	=	42.6	2016	CHEMBL3886762
Cc1cnn(C)c1CNc1cc(OC[C@H]2C[C@@H]2c2ccn(C)n2)nn(C)c1=O	CHEMBL4114838	=	9.4	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)on3)c(=O)n(C)n2)nc1	CHEMBL4111794	=	0.01	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nc(C)nn3C)c(=O)n(C)n2)nc1	CHEMBL4113110	=	2.8	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)no3)c(=O)n(C)n2)nc1	CHEMBL4110581	=	0.008	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(N(Cc3ccc(C)nc3C)Cc3ccc(C)nc3C)c(=O)n(C)n2)nc1	CHEMBL4106859	=	5.9	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NC(=O)c3cnn(C)c3Cl)c(=O)n(C)n2)nc1	CHEMBL4106931	=	75.0	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3Cl)c(=O)n(C)n2)nc1	CHEMBL4107685	=	1.27	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cccc(C)n3)c(=O)n(C)n2)nc1	CHEMBL4113947	=	2.7	2016	CHEMBL3886762
Cn1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccnn3C)c(=O)n(C)n2)n1	CHEMBL4106936	=	1.5	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccnn3C)c(=O)n(C)n2)nc1	CHEMBL4107208	=	0.138	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccnn3C)c(=O)n(C)n2)nc1	CHEMBL4114936	=	0.192	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NC(=O)c3cc(C)nn3C)c(=O)n(C)n2)nc1	CHEMBL4109057	=	75.0	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NC(=O)c3cc(C)nn3C)c(=O)n(C)n2)nc1	CHEMBL4112121	=	51.2	2016	CHEMBL3886762
Cc1cc(C(=O)Nc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)n(C)n1	CHEMBL4113232	=	75.0	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cn(C)nc3C(F)(F)F)c(=O)n(C)n2)nc1	CHEMBL4110881	=	0.056	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)ccn3)c(=O)n(C)n2)nc1	CHEMBL4114189	=	0.276	2016	CHEMBL3886762
CCn1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC)cn3)nn(C)c2=O)n1	CHEMBL4112087	=	5.89	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C(F)F)c3)c(=O)n(C)n2)nc1	CHEMBL4112170	=	0.144	2016	CHEMBL3886762
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3nn(C)c4ccccc34)nn(C)c2=O)s1	CHEMBL4110487	=	0.905	2016	CHEMBL3886762
Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3nn(C)c4ccccc34)nn(C)c2=O)s1	CHEMBL4111130	=	2.15	2016	CHEMBL3886762
Cc1ncc(CNc2cc(OC[C@@H]3C[C@H]3c3nn(C)c4ccccc34)nn(C)c2=O)s1	CHEMBL3894579	=	0.077	2016	CHEMBL3886762
Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3nn(C)c4ccccc34)nn(C)c2=O)cn1	CHEMBL4109032	=	1.9	2016	CHEMBL3886762
Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3nn(C)c4ccccc34)nn(C)c2=O)s1	CHEMBL4108799	=	1.4	2016	CHEMBL3886762
Cn1cc(CNc2cc(OC[C@@H]3C[C@H]3c3nn(C)c4ccccc34)nn(C)c2=O)cn1	CHEMBL3916783	=	0.197	2016	CHEMBL3886762
Cc1cnc(CNc2cc(OC[C@@H]3C[C@H]3c3nn(C)c4ccccc34)nn(C)c2=O)s1	CHEMBL3892294	=	0.118	2016	CHEMBL3886762
Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)c(=O)n(C)n2)n1	CHEMBL4113390	=	0.033	2016	CHEMBL3886762
Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)n1	CHEMBL4110030	=	0.005	2016	CHEMBL3886762
Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)c(=O)n(C)n2)n1	CHEMBL4113684	=	0.089	2016	CHEMBL3886762
Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3ncc(C)s3)c(=O)n(C)n2)n1	CHEMBL4115613	=	0.037	2016	CHEMBL3886762
Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3ccccn3)c(=O)n(C)n2)n1	CHEMBL4111228	=	3.4	2016	CHEMBL3886762
Cc1cccc([C@H]2C[C@@H]2COc2cc(NCc3cccnc3)c(=O)n(C)n2)n1	CHEMBL4108873	=	1.3	2016	CHEMBL3886762
Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)n(C)n1	CHEMBL4109133	=	0.001	2016	CHEMBL3886762
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)s1	CHEMBL4106557	=	0.002	2016	CHEMBL3886762
Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)s1	CHEMBL4111947	=	0.002	2016	CHEMBL3886762
Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)cn1	CHEMBL4112605	=	0.005	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nc(C)c(C)s3)c(=O)n(C)n2)nc1	CHEMBL4109869	=	0.048	2016	CHEMBL3886762
Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nc(C)c(C)s3)c(=O)n(C)n2)nc1	CHEMBL4111447	=	0.045	2016	CHEMBL3886762
Cc1nc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)sc1C	CHEMBL4107305	=	0.368	2016	CHEMBL3886762
Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)nn1C	CHEMBL4110105	=	3.6	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ncc(C)s3)c(=O)n(C)n2)nc1	CHEMBL4113066	=	0.004	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)c(=O)n(C)n2)nc1	CHEMBL4107863	=	0.014	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)nc1	CHEMBL4110515	=	0.002	2016	CHEMBL3886762
COc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC)cn3)nn(C)c2=O)cc1	CHEMBL4106926	=	0.021	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccccn3)c(=O)n(C)n2)nc1	CHEMBL4109288	=	0.706	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cccnc3)c(=O)n(C)n2)nc1	CHEMBL4111784	=	0.261	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCCc3nccs3)c(=O)n(C)n2)nc1	CHEMBL4107966	=	10.3	2016	CHEMBL3886762
CCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC)cn3)nn(C)c2=O)n(C)n1	CHEMBL4110720	=	0.058	2016	CHEMBL3886762
CCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)n(C)n1	CHEMBL4107437	=	0.027	2016	CHEMBL3886762
CCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)n(C)n1	CHEMBL4110060	=	0.295	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2nn(C)c(=O)c(NCc3nnc(C)s3)c2Br)nc1	CHEMBL4111542	=	0.004	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2nn(C)c(=O)c(NCc3nnc(C)s3)c2Cl)nc1	CHEMBL4115140	=	0.004	2016	CHEMBL3886762
COc1ccc(Cn2nc(OC[C@H]3C[C@@H]3c3ccc(OC)cn3)cc(NCc3nnc(C)s3)c2=O)cc1	CHEMBL4107234	=	75.0	2016	CHEMBL3886762
CCn1nc(OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc(NCc2nnc(C)s2)c1=O	CHEMBL4115264	=	0.032	2016	CHEMBL3886762
C#CCN(Cc1ccc(OC)cc1)c1cc(OC[C@H]2C[C@@H]2c2ccc(OC)cn2)nn(C)c1=O	CHEMBL4108375	=	7.9	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3c[nH]nn3)c(=O)n(C)n2)nc1	CHEMBL4111868	=	0.048	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cn(C)nn3)c(=O)n(C)n2)nc1	CHEMBL4109682	=	0.066	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)n3)c(=O)n(C)n2)nc1	CHEMBL4108556	=	0.648	2016	CHEMBL3886762
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2)nc1	CHEMBL4107626	=	1.01	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2C)nc1	CHEMBL4112364	=	0.217	2016	CHEMBL3886562
CCn1c(C)c(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)ccc1=O	CHEMBL4107831	=	1.952	2016	CHEMBL3886562
CCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)ccc1=O	CHEMBL4111445	=	1.105	2016	CHEMBL3886562
COCCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)ccc1=O	CHEMBL4107695	=	1.376	2016	CHEMBL3886562
COCCn1c(C)c(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)ccc1=O	CHEMBL4112154	=	3.065	2016	CHEMBL3886562
COn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)ccc1=O	CHEMBL4112715	=	2.334	2016	CHEMBL3886562
Cc1ncc(-c2ccc(=O)n(C(C)C)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4113752	=	0.014	2016	CHEMBL3886562
Cc1ncc(-c2ccc(=O)n(-c3ccccc3)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4106745	=	0.216	2016	CHEMBL3886562
Cc1ncc(-c2ccc(=O)n(C(F)F)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4109649	=	0.048	2016	CHEMBL3886562
COn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)ccc1=O	CHEMBL4109179	=	0.053	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C(C)C)c2)nc1	CHEMBL4107523	=	0.823	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C(F)F)c2)nc1	CHEMBL4108683	=	1.098	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(-c3ccccc3)c2)nc1	CHEMBL4114638	=	4.861	2016	CHEMBL3886562
CCc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cn(C)c1=O	CHEMBL4114353	=	0.1851	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(OC)c(=O)n(C)c2)nc1	CHEMBL4110140	=	0.1511	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(F)c(=O)n(C)c2)nc1	CHEMBL4111563	=	1.294	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(-c3ccccc3)c2)nc1	CHEMBL4114146	=	4.683	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C(F)F)c2)nc1	CHEMBL4112882	=	1.211	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C(C)C)c2)nc1	CHEMBL4109559	=	0.827	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(OC)c2)nc1	CHEMBL4113672	=	1.901	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C3CC3)c2)nc1	CHEMBL4111612	=	0.519	2016	CHEMBL3886562
CCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)ccc1=O	CHEMBL4114925	=	1.073	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(F)c(=O)n(C)c2)nc1	CHEMBL4115464	=	1.547	2016	CHEMBL3886562
Cc1ncc(-c2cc(F)c(=O)n(C)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4110767	=	0.041	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2C)nc1	CHEMBL4112092	=	0.113	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2)nc1	CHEMBL4111295	=	2.042	2016	CHEMBL3886562
Cc1ncc(-c2ccc(=O)n(C)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4113565	=	0.052	2016	CHEMBL3886562
COCCn1c(C)c(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)ccc1=O	CHEMBL4112835	=	1.461	2016	CHEMBL3886562
COCCn1c(C)c(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)ccc1=O	CHEMBL4109534	=	0.045	2016	CHEMBL3886562
CCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)ccc1=O	CHEMBL4111638	=	0.024	2016	CHEMBL3886562
CCn1c(C)c(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)ccc1=O	CHEMBL4109007	=	1.783	2016	CHEMBL3886562
Cc1ncc(-c2ccc(=O)n(C)c2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4115655	=	0.006	2016	CHEMBL3886562
CCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc(C)c1=O	CHEMBL4113855	=	0.381	2016	CHEMBL3886562
CCn1c(C)c(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)ccc1=O	CHEMBL4114192	=	0.045	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C(C)C)c2C)nc1	CHEMBL4115342	=	4.273	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)c(=O)n(C)c2)nc1	CHEMBL4109787	=	0.727	2016	CHEMBL3886562
COCCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)ccc1=O	CHEMBL4111775	=	0.821	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)c(=O)n(C)c2)nc1	CHEMBL4111066	=	0.409	2016	CHEMBL3886562
CCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cc(C)c1=O	CHEMBL4114963	=	0.533	2016	CHEMBL3886562
Cc1ncc(-c2ccc(=O)n(C)c2)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1	CHEMBL4113566	=	0.531	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(CC(F)F)c2)nc1	CHEMBL4112838	=	2.563	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(CC(F)F)c2)nc1	CHEMBL4114893	=	2.301	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(CCC#N)c2)nc1	CHEMBL4113319	=	1.777	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(CCC#N)c2)nc1	CHEMBL4115003	=	2.151	2016	CHEMBL3886562
COC(=O)Cn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)ccc1=O	CHEMBL4115406	=	3.65	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2)nc1	CHEMBL4107626	=	1.696	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(CC3CC3)c2)nc1	CHEMBL4108660	=	0.983	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(CC#N)c2)nc1	CHEMBL4113912	=	3.477	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)c2)nc1	CHEMBL4111295	=	0.946	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(CC(F)(F)F)c2)nc1	CHEMBL4107026	=	3.113	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(CC3CC3)c2)nc1	CHEMBL4108892	=	0.377	2016	CHEMBL3886562
COc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)cn(C)c1=O	CHEMBL4114939	=	0.045	2016	CHEMBL3886562
CCc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cn(C)c1=O	CHEMBL4112476	=	0.347	2016	CHEMBL3886562
COc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cn(C)c1=O	CHEMBL4112612	=	0.004	2016	CHEMBL3886562
COc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cn(C)c1=O	CHEMBL4115653	=	0.349	2016	CHEMBL3886562
Cc1ncc(-c2ccc(=O)n(C)c2C)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1	CHEMBL4112616	=	0.481	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C#N)c(=O)n(C)c2C)nc1	CHEMBL4114545	=	0.426	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C#N)c(=O)n(C)c2C)nc1	CHEMBL4110950	=	0.117	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)c(=O)cn2)nc1	CHEMBL4113243	=	16.72	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)c(=O)cn2)nc1	CHEMBL4106739	=	12.92	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)[nH]n2)nc1	CHEMBL4115324	=	4.416	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C)n2)nc1	CHEMBL4108826	=	2.835	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)c(=O)n(C)n2)nc1	CHEMBL4110795	=	1.828	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)c(=O)n(C)n2)nc1	CHEMBL4111082	=	1.228	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2nn(C)c(=O)cc2C)nc1	CHEMBL4111836	=	5.553	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2nn(C)c(=O)cc2C)nc1	CHEMBL4108990	=	9.683	2016	CHEMBL3886562
CCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cc1=O	CHEMBL4113016	=	1.429	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C)c(=O)c2)nc1	CHEMBL4110823	=	1.25	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)[nH]cc2C)nc1	CHEMBL4113323	=	1.007	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2C)nc1	CHEMBL4106710	=	2.158	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2Cl)nc1	CHEMBL4112314	=	1.128	2016	CHEMBL3886562
Cc1ncc(-c2cc(=O)n(C)cc2C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1	CHEMBL4109766	=	16.62	2016	CHEMBL3886562
Cc1ncc(-c2cc(=O)[nH]cc2C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1	CHEMBL4108705	=	8.381	2016	CHEMBL3886562
Cc1ncc(-c2cc(=O)n(C)cc2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4114473	=	0.035	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)[nH]cc2C)nc1	CHEMBL4107448	=	0.612	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C)c(=O)c2)nc1	CHEMBL4109895	=	1.734	2016	CHEMBL3886562
Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4112062	=	0.03	2016	CHEMBL3886562
Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccccn2)n1	CHEMBL4113771	=	10.8	2016	CHEMBL3886562
Cc1ncc(-c2cc(=O)[nH]cc2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4112465	=	0.011	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2C)nc1	CHEMBL4110492	=	0.496	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)[nH]cc2Cl)nc1	CHEMBL4109837	=	0.39	2016	CHEMBL3886562
Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@@H]2C[C@H]2c2ccc(F)cn2)n1	CHEMBL3966043	=	88.4	2016	CHEMBL3886562
COCCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cc1=O	CHEMBL4115495	=	0.439	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)n(C)c(=O)c2)nc1	CHEMBL4113314	=	1.562	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)n(C)c(=O)c2)nc1	CHEMBL4111151	=	0.785	2016	CHEMBL3886562
Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc(F)cn2)n1	CHEMBL4110476	=	27.46	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2C#N)nc1	CHEMBL4111801	=	7.392	2016	CHEMBL3886562
Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc(OC(F)F)cn2)n1	CHEMBL4113651	=	9.221	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C(C)C)c(=O)c2)nc1	CHEMBL4107683	=	1.203	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2SC)nc1	CHEMBL4115477	=	12.49	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2C(F)(F)F)nc1	CHEMBL4108631	=	3.016	2016	CHEMBL3886562
Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@@H]2C[C@H]2c2ccc(OC(F)F)cn2)n1	CHEMBL3921604	=	100.0	2016	CHEMBL3886562
CCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc1=O	CHEMBL4113082	=	0.75	2016	CHEMBL3886562
CCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cc1=O	CHEMBL4107591	=	0.021	2016	CHEMBL3886562
Cc1ncc(-c2cc(C)n(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4115082	=	0.041	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2S(C)(=O)=O)nc1	CHEMBL4110131	=	67.51	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2Cl)nc1	CHEMBL4108003	=	1.114	2016	CHEMBL3886562
COCCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cc1=O	CHEMBL4110358	=	0.012	2016	CHEMBL3886562
COCCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cc1=O	CHEMBL4115495	=	0.4	2016	CHEMBL3886562
Cc1ncc(-c2cc(=O)n(C)cc2Cl)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4107409	=	0.04	2016	CHEMBL3886562
Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@@H]2C[C@H]2c2ccc(Cl)cn2)n1	CHEMBL3906395	=	100.0	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C)c(=O)c2C#N)nc1	CHEMBL4107230	=	8.163	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CC(F)(F)F)c(=O)c2)nc1	CHEMBL4111754	=	0.74	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CC(F)F)c(=O)c2)nc1	CHEMBL4110713	=	1.81	2016	CHEMBL3886562
Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc(Cl)cn2)n1	CHEMBL4107637	=	14.74	2016	CHEMBL3886562
CCOC(=O)c1cn(C)c(=O)cc1-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(OC)cn1	CHEMBL4106718	=	100.0	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2[S+](C)[O-])nc1	CHEMBL4112639	=	63.82	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2[S+](C)[O-])nc1	CHEMBL4112639	=	49.05	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CC#N)c(=O)c2)nc1	CHEMBL4109335	=	0.441	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CCC#N)c(=O)c2)nc1	CHEMBL4109907	=	0.944	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)n(C)c(=O)c2)nc1	CHEMBL4111151	=	0.8	2016	CHEMBL3886562
Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1	CHEMBL4111975	=	0.378	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C)c(=O)c2SC)nc1	CHEMBL4112115	=	18.04	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C(F)F)c(=O)c2)nc1	CHEMBL4109464	=	1.834	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C(F)F)c(=O)c2)nc1	CHEMBL4112173	=	1.928	2016	CHEMBL3886562
COCCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc1=O	CHEMBL4113991	=	0.553	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CCC#N)c(=O)c2)nc1	CHEMBL4110688	=	1.585	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CC#N)c(=O)c2)nc1	CHEMBL4109765	=	1.06	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CC(F)(F)F)c(=O)c2)nc1	CHEMBL4108695	=	0.299	2016	CHEMBL3886562
C=CCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc1=O	CHEMBL4109640	=	0.458	2016	CHEMBL3886562
C=CCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cc1=O	CHEMBL4113104	=	0.508	2016	CHEMBL3886562
COC(=O)Cn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc1=O	CHEMBL4109378	=	0.284	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C)c(=O)c2)nc1	CHEMBL4110823	=	1.66	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CCO)c(=O)c2)nc1	CHEMBL4113813	=	1.007	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CCO)c(=O)c2)nc1	CHEMBL4110726	=	0.64	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C)c(=O)c2)nc1	CHEMBL4110823	=	1.541	2016	CHEMBL3886562
COC(=O)Cn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cc1=O	CHEMBL4111306	=	0.394	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CC(F)F)c(=O)c2)nc1	CHEMBL4112253	=	0.386	2016	CHEMBL3886562
Cc1ncc(-c2cc(=O)n(C)cc2C)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1	CHEMBL4109486	=	0.033	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2C2CC2)nc1	CHEMBL4109637	=	0.583	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C3CC3)c(=O)c2)nc1	CHEMBL4108133	=	0.935	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CC(=O)O)c(=O)c2)nc1	CHEMBL4110003	=	9.852	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c(=O)c2)nc1	CHEMBL4108243	=	6.306	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c(=O)c2)nc1	CHEMBL4113695	=	5.743	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c(=O)c2Cl)nc1	CHEMBL4115562	=	0.728	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)nc2OC)nc1	CHEMBL4115163	=	2.163	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)nc2O)nc1	CHEMBL4107647	=	21.2	2016	CHEMBL3886562
Cc1ncc(-c2cc(=O)n(C)cn2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1	CHEMBL4115642	=	0.228	2016	CHEMBL3886562
Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cn2)nc1	CHEMBL4111506	=	5.462	2016	CHEMBL3886562
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cn2)nc1	CHEMBL4110179	=	6.037	2016	CHEMBL3886562