canonical_smiles	compound_chembl_id	standard_relation	standard_value	publication_year	document_chembl_id
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC1	CHEMBL3652648	=	0.462	2014	CHEMBL3638875
CNCC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1	CHEMBL3648656	=	0.048	2013	CHEMBL3638937
C[C@@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCN1	CHEMBL3648657	=	0.958	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CCCC[C@H](N)C1	CHEMBL3648658	=	0.083	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CCCC[C@@H](N)C1	CHEMBL3648659	=	0.091	2013	CHEMBL3638937
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCNCC(F)(F)C3)c(N)s2)c1	CHEMBL3648660	=	0.019	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CCNCC(F)(F)C1	CHEMBL3648661	=	0.03	2013	CHEMBL3638937
CN[C@@H]1CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2CC(F)F)CC1	CHEMBL3648662	=	0.079	2013	CHEMBL3638937
CN[C@@H]1CCCN(c2c(NC(=O)c3nc(-c4cc(F)ccc4F)sc3N)cnn2CC(F)F)CC1	CHEMBL3648663	=	0.43	2013	CHEMBL3638937
CN[C@@H]1CCCN(c2c(NC(=O)c3nc(-c4cc(C)ccc4F)sc3N)cnn2CC(F)F)CC1	CHEMBL3648664	=	0.097	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CCCC(O)CC1	CHEMBL3648665	=	0.166	2013	CHEMBL3638937
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(CC(F)F)c3N3CCCC(O)CC3)c(N)s2)c1	CHEMBL3648666	=	0.079	2013	CHEMBL3638937
C[C@@H]1CNCCN1c1c(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cnn1C	CHEMBL3648667	=	1.14	2013	CHEMBL3638937
CC[C@H]1CNCCN1c1c(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cnn1C	CHEMBL3648668	=	0.066	2013	CHEMBL3638937
CC[C@@H]1CNCCN1/C(=N/C)C(C=N)NC(=O)c1nc(-c2c(F)cccc2F)sc1N	CHEMBL4114797	=	0.476	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)ccc(C4CC4)c3F)sc2N)c1N1CCC[C@@H](N)CC1	CHEMBL3648670	=	0.015	2013	CHEMBL3638937
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC[C@@H](N)CC3)c(N)s2)c1F	CHEMBL3648671	=	0.01	2013	CHEMBL3638937
C[C@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCN1	CHEMBL3648672	=	0.876	2013	CHEMBL3638937
N=CC(NC(=O)c1nc(-c2cc(F)ccc2F)sc1N)/C(=N\CC(F)F)N1CCCC(O)CC1	CHEMBL4114805	=	0.292	2013	CHEMBL3638937
CN[C@H]1CCCN(c2c(NC(=O)c3nc(-c4cc(C)ccc4F)sc3N)cnn2CC(F)F)CC1	CHEMBL3648674	=	0.044	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(N)C(F)C1	CHEMBL3648675	=	0.3	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)CC(F)(F)C1	CHEMBL3648676	=	0.004	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](N)C[C@H](F)C1	CHEMBL3648677	=	0.158	2013	CHEMBL3638937
C[C@H]1CNCCN1c1c(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cnn1C	CHEMBL3648678	=	0.158	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC2(CCNC2)CC1	CHEMBL3648679	=	0.056	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(N)C(F)C1	CHEMBL3648675	=	0.056	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1	CHEMBL3648680	=	0.04	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1	CHEMBL3648681	=	0.067	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](N)C[C@@H](F)C1	CHEMBL3648682	=	0.01	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H](N)[C@@H](F)C1	CHEMBL3648683	=	0.147	2013	CHEMBL3638937
Nc1sc(-c2cc(F)ccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CCC[C@@H](N)CC1	CHEMBL3648684	=	0.12	2013	CHEMBL3638937
C/N=C(\C(C=N)NC(=O)c1nc(-c2c(F)cccc2F)sc1N)N1CC[C@H](N)CC(F)(F)C1	CHEMBL4114733	=	0.006	2013	CHEMBL3638937
C/N=C(\C(C=N)NC(=O)c1nc(-c2c(F)cccc2F)sc1N)N1CC[C@@H](N)CC(F)(F)C1	CHEMBL4114779	=	0.003	2013	CHEMBL3638937
CO[C@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@H]1N	CHEMBL3648687	=	0.066	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CCNCC(F)(F)C1	CHEMBL3648688	=	0.206	2013	CHEMBL3638937
C/N=C(\C(C=N)NC(=O)c1nc(-c2ccccc2F)sc1N)N1CC[C@@H](N)[C@H](F)CC1	CHEMBL4114760	=	0.24	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@@H](C(F)(F)F)C1	CHEMBL3648690	=	0.268	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)C(F)CC1	CHEMBL3648691	=	0.123	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)C(F)CC1	CHEMBL3648691	=	0.141	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC(N)C(F)CC1	CHEMBL3648692	=	0.173	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC(N)C(F)CC1	CHEMBL3648692	=	0.149	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3648693	=	0.01	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648694	=	0.007	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3648695	=	0.02	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648696	=	0.03	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC2COC2)c1N1CCNCC1	CHEMBL3648697	>	667.0	2013	CHEMBL3638937
COC1(C)CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1	CHEMBL3648698	=	0.009	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)CC(C)(O)C1	CHEMBL3648699	=	0.048	2013	CHEMBL3638937
COC1(C)CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1	CHEMBL3648698	=	0.008	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)CC(C)(O)C1	CHEMBL3648699	=	0.043	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)CC(C)(F)C1	CHEMBL3648700	=	0.009	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(O)CC(F)C1	CHEMBL3648701	=	0.043	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(C(F)(F)F)C1	CHEMBL3648702	=	0.353	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3648703	=	0.058	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648704	=	0.019	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1	CHEMBL3648705	=	0.568	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3648706	=	0.027	2013	CHEMBL3638937
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@H](F)[C@H](N)CC3)c(N)s2)c1	CHEMBL3648707	=	0.038	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CC[C@H](N)[C@H](F)CC1	CHEMBL3648708	=	0.253	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@H](F)[C@H](N)CC1	CHEMBL3648709	=	0.064	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1	CHEMBL3648710	=	0.186	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1	CHEMBL3648711	=	0.091	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@H](N)[C@H](F)CC1	CHEMBL3648712	=	0.091	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CC[C@H](F)[C@H](N)CC1	CHEMBL3648713	=	0.058	2013	CHEMBL3638937
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@H](N)[C@H](F)CC3)c(N)s2)c1	CHEMBL3648714	=	0.147	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648715	=	0.032	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1	CHEMBL3648716	=	1.25	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3648717	=	0.01	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648718	=	0.02	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3639475	=	0.004	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648719	=	0.008	2013	CHEMBL3638937
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@H](N)CC(F)(F)C3)c(N)s2)c1	CHEMBL3648720	=	0.015	2013	CHEMBL3638937
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)CC(F)(F)C3)c(N)s2)c1	CHEMBL3648721	=	0.018	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3648722	=	0.01	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648723	=	0.009	2013	CHEMBL3638937
CO[C@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@H]1N	CHEMBL3648687	=	0.076	2013	CHEMBL3638937
CO[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL3648724	=	0.114	2013	CHEMBL3638937
CN(C)[C@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)C1	CHEMBL3648725	=	0.026	2013	CHEMBL3638937
CN(C)[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)C1	CHEMBL3648726	=	0.066	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC(N)CC(F)(F)C1	CHEMBL3648727	=	0.021	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)CC(F)(F)C1	CHEMBL3648728	=	0.023	2013	CHEMBL3638937
C[C@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2CC(F)(F)F)CCN1	CHEMBL3648729	=	2.1	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)(F)F)c1N1CCCCC(N)C1	CHEMBL3648730	=	0.175	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)(F)F)c1N1CCCCC(N)C1	CHEMBL3648730	=	0.208	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNCC2(CC2)C1	CHEMBL3648731	=	0.025	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648732	=	0.07	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648732	=	0.052	2013	CHEMBL3638937
COC1CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1	CHEMBL3648733	=	0.097	2013	CHEMBL3638937
COC1CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1	CHEMBL3648733	=	0.018	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCCCC1=O	CHEMBL3648734	=	18.9	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNCCC1=O	CHEMBL3648735	=	1.02	2013	CHEMBL3638937
COC1CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1	CHEMBL3648733	=	0.05	2013	CHEMBL3638937
COC1CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1	CHEMBL3648733	=	0.007	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4ccccn4)sc3N)cnn2C)CCC1N	CHEMBL3648736	=	0.833	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4ncccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648737	=	0.266	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4ccccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648738	=	0.0694	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4cc(C)ccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648739	=	0.153	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4cc(F)ccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648740	=	0.384	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(O)CC1	CHEMBL3648741	=	0.118	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(O)CC1	CHEMBL3648741	=	0.128	2013	CHEMBL3638937
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C4CC4)c3N3CCC(N)C(F)CC3)c(N)s2)c1	CHEMBL3648742	=	0.248	2013	CHEMBL3638937
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C4CC4)c3N3CCC(N)C(F)CC3)c(N)s2)c1	CHEMBL3648742	=	0.087	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCC(N)C(F)CC1	CHEMBL3648743	=	0.0647	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCC(N)C(F)CC1	CHEMBL3648743	=	0.148	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(O)CC1	CHEMBL3648741	=	0.192	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H](NCC2(C)COC2)CC1	CHEMBL3648744	=	0.295	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H](NCCO)CC1	CHEMBL3648745	=	0.104	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H](N(CCO)CCO)CC1	CHEMBL3648746	=	0.199	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(O)CC1	CHEMBL3648741	=	0.026	2013	CHEMBL3638937
Nc1sc(-c2cc(F)ccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCC(N)C(F)CC1	CHEMBL3648747	=	0.159	2013	CHEMBL3638937
Nc1sc(-c2cc(F)ccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCC(N)C(F)CC1	CHEMBL3648747	=	0.226	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCOCCC1=O	CHEMBL3648748	=	16.7	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC2CCC(C1)O2	CHEMBL3648749	=	0.678	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H](NCC2COC2)CC1	CHEMBL3648750	=	0.075	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H](N(CC2COC2)CC2COC2)CC1	CHEMBL3648751	=	0.962	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3648752	=	0.01	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648753	=	0.007	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)ccc(I)c3F)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648754	=	0.002	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)ccc(I)c3F)sc2N)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3648755	=	0.002	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1	CHEMBL3648756	=	0.109	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC2CCC(C2)C1	CHEMBL3648757	=	0.711	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCS(=O)(=O)CC1	CHEMBL3648758	=	0.671	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC2(CCCN2)CC1	CHEMBL3648759	=	0.022	2013	CHEMBL3638937
COC1(C)CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1	CHEMBL3648698	=	0.002	2013	CHEMBL3638937
COC1(C)CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1	CHEMBL3648698	=	0.0511	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC2CNCC(C1)O2	CHEMBL3648760	=	33.6	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNCC(CO)C1	CHEMBL3648761	=	0.439	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNCC(CO)C1	CHEMBL3648761	=	1.43	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC[C@@H](N)[C@H](F)CC1	CHEMBL3648762	=	0.522	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC[C@@H](N)[C@H](F)CC1	CHEMBL3648762	=	0.026	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC2(CNC2)C1	CHEMBL3648763	=	0.783	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC2(CCNC2=O)CC1	CHEMBL3648764	=	0.391	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC2(CCNC2)C1	CHEMBL3648765	=	6.85	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCN(C2CNC2)CC1	CHEMBL3648766	=	0.25	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCCCC(F)(F)C1	CHEMBL3648767	=	0.678	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](N)[C@@H](OC)CC1	CHEMBL3648768	=	0.247	2013	CHEMBL3638937
CO[C@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C2CC2)CC[C@@H]1N	CHEMBL3648769	=	0.219	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCCCC(F)(F)C1	CHEMBL3648767	=	0.483	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(F)CC1	CHEMBL3648770	=	0.178	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(F)CC1	CHEMBL3648770	=	0.093	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(O)CC(F)(F)C1	CHEMBL3648771	=	0.006	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(O)CC(F)(F)C1	CHEMBL3648771	=	0.015	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC(N)C(F)CC1	CHEMBL3648772	=	0.373	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC(N)C(F)CC1	CHEMBL3648772	=	0.346	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@H](N)[C@H](O)CC1	CHEMBL3648773	=	0.051	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](N)[C@H](OC)CC1	CHEMBL3648774	=	0.223	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC[C@H](F)[C@H](N)CC1	CHEMBL3648775	=	0.428	2013	CHEMBL3638937
CC(=O)NC1(C)CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1	CHEMBL3648776	=	0.126	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC[C@@H](N)[C@H](F)CC1	CHEMBL3648762	=	0.557	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC[C@H](F)[C@H](N)CC1	CHEMBL3648775	=	0.252	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC[C@H](F)[C@H](N)CC1	CHEMBL3648775	=	0.272	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNCC(C#N)C1	CHEMBL3648777	=	2.81	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCCCCC1	CHEMBL3648778	=	3.73	2013	CHEMBL3638937
CC(=O)NC1(C)CCCN(c2c(NC(=O)c3nc(-c4ncccc4F)sc3N)cnn2C)CC1	CHEMBL3648779	=	0.613	2013	CHEMBL3638937
CCOC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648780	=	0.145	2013	CHEMBL3638937
CO[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C2CC2)CC[C@@H]1N	CHEMBL3648781	=	0.103	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)[C@H](F)CC1	CHEMBL3648782	=	1.4	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@H](N)[C@H](F)CC1	CHEMBL3648783	=	0.462	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(OC)CC1	CHEMBL3648784	=	0.624	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(OC)CC1	CHEMBL3648784	=	0.192	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC(N)C(OC)CC1	CHEMBL3648785	=	2.16	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC(N)C(OC)CC1	CHEMBL3648785	=	0.668	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cccc(=O)[nH]3)sc2N)c1N1CCC[C@H](N)CC1	CHEMBL3648786	=	14.0	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCN(C(=O)CN)CC1	CHEMBL3648787	=	0.421	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCN(CCN)CC1	CHEMBL3648788	=	0.222	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC2NCCOC2CC1	CHEMBL3648789	=	0.056	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC2NCCOC2CC1	CHEMBL3648789	=	0.022	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CCC(N)C(O)CC1	CHEMBL3648790	=	0.142	2013	CHEMBL3638937
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CCC(N)C(O)CC1	CHEMBL3648790	=	0.018	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(N)C(F)C1	CHEMBL3648675	=	0.15	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C2CC2)CCC1N	CHEMBL3648791	=	0.059	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C2CC2)CCC1N	CHEMBL3648791	=	0.126	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C2CC2)CCC1N	CHEMBL3648791	=	0.21	2013	CHEMBL3638937
COC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C2CC2)CCC1N	CHEMBL3648791	=	0.036	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(O)(C(F)(F)F)CC1	CHEMBL3648792	=	0.055	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(OC)CC1	CHEMBL3648784	=	0.133	2013	CHEMBL3638937
CCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(OC)CC1	CHEMBL3648784	=	0.204	2013	CHEMBL3638937
CNC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)C1	CHEMBL3648793	=	0.007	2013	CHEMBL3638937
CNC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)C1	CHEMBL3648793	=	0.014	2013	CHEMBL3638937
CO[C@H]1CC=C(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@H]1N	CHEMBL3648794	=	0.069	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(C)(N)CC1	CHEMBL3648795	=	0.062	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCCC(C)(N)CC1	CHEMBL3648796	=	0.057	2013	CHEMBL3638937
CO[C@H]1CCC(c2c(NC(=O)c3nc(-c4ccccc4F)sc3N)cnn2C)CC[C@@H]1N	CHEMBL3648797	=	0.822	2013	CHEMBL3638937
CO[C@H]1CCC(c2c(NC(=O)c3nc(-c4ccccc4F)sc3N)cnn2C)CC[C@@H]1N	CHEMBL3648797	=	0.12	2013	CHEMBL3638937
CO[C@H]1CCC(c2c(NC(=O)c3nc(-c4ccccc4F)sc3N)cnn2C)CC[C@@H]1N	CHEMBL3648797	=	0.461	2013	CHEMBL3638937
CO[C@H]1CCC(c2c(NC(=O)c3nc(-c4ccccc4F)sc3N)cnn2C)CC[C@@H]1N	CHEMBL3648797	=	1.58	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccnc(F)c3)sc2N)c1N1CCC[C@H](N)CC1	CHEMBL3648798	=	2.12	2013	CHEMBL3638937
COc1ncccc1-c1nc(C(=O)Nc2cnn(C)c2N2CCC[C@H](N)CC2)c(N)s1	CHEMBL3648799	=	1.08	2013	CHEMBL3638937
Cn1cc(-c2nc(C(=O)Nc3cnn(C)c3N3CCC[C@H](N)CC3)c(N)s2)cn1	CHEMBL3648800	=	0.785	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cncc(F)c3)sc2N)c1N1CCC[C@H](N)CC1	CHEMBL3648801	=	4.25	2013	CHEMBL3638937
Cc1noc(C)c1-c1nc(C(=O)Nc2cnn(C)c2N2CCC[C@H](N)CC2)c(N)s1	CHEMBL3648802	=	4.37	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1	CHEMBL3648803	=	0.38	2013	CHEMBL3638937
COC1CCC2(c3c(NC(=O)c4nc(-c5ccccc5F)sc4N)cnn3C)CCC1N2	CHEMBL3648804	=	0.362	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](O)[C@@](C)(N)CC1	CHEMBL3648805	=	0.199	2013	CHEMBL3638937
Cc1cnc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC[C@H](N)CC3)c(N)s2)c1	CHEMBL3648806	=	0.144	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1N1CCC(N)CC(F)(F)C1	CHEMBL3648807	=	0.034	2013	CHEMBL3638937
COc1nccc(C)c1-c1nc(C(=O)Nc2cnn(C)c2N2CCC[C@H](N)CC2)c(N)s1	CHEMBL3648808	=	3.7	2013	CHEMBL3638937
Cc1ccncc1-c1nc(C(=O)Nc2cnn(C)c2N2CC[C@@H](N)[C@H](F)CC2)c(N)s1	CHEMBL3648809	=	0.884	2013	CHEMBL3638937
Cc1c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)[C@H](F)CC3)c(N)s2)cnn1C	CHEMBL3648810	=	0.315	2013	CHEMBL3638937
Cc1ncccc1-c1nc(C(=O)Nc2cnn(C)c2N2CC[C@@H](N)[C@H](F)CC2)c(N)s1	CHEMBL3648811	=	1.17	2013	CHEMBL3638937
Cc1cc(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)[C@H](F)CC3)c(N)s2)ccn1	CHEMBL3648812	=	1.04	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cccc(C#N)n3)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1	CHEMBL3648813	=	1.44	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCCC(C)(N)CC1	CHEMBL3648796	=	0.024	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCCC(C)(N)CC1	CHEMBL3648796	=	0.093	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(C)(N)CC1	CHEMBL3648795	=	0.021	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(C)(N)CC1	CHEMBL3648795	=	0.04	2013	CHEMBL3638937
Cc1nn(C)cc1-c1nc(C(=O)Nc2cnn(C)c2N2CC[C@@H](N)[C@H](F)CC2)c(N)s1	CHEMBL3648814	=	0.477	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cncc3F)sc2N)c1N1CCC(N)CC(F)(F)C1	CHEMBL3648815	=	0.008	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cncc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1	CHEMBL3648816	=	0.121	2013	CHEMBL3638937
COC1(C)CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cncc4F)sc3N)cnn2C)C1	CHEMBL3648817	=	0.024	2013	CHEMBL3638937
COC1(C)CC(N)CCN(c2c(NC(=O)c3nc(-c4ccncc4F)sc3N)cnn2C)C1	CHEMBL3639476	=	0.027	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cc(C#N)ccc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1	CHEMBL3648818	=	1.08	2013	CHEMBL3638937
Cc1cc(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)[C@H](F)CC3)c(N)s2)cc(C)n1	CHEMBL3648819	=	2.54	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cncc(C#N)c3)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1	CHEMBL3648820	=	35.4	2013	CHEMBL3638937
Cc1cnc(C)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)[C@H](F)CC3)c(N)s2)c1	CHEMBL3648821	=	0.446	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3648822	=	0.01	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648823	=	0.014	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)CC2(CCO2)C1	CHEMBL3648824	=	0.104	2013	CHEMBL3638937
C=C1C[C@@H](N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1	CHEMBL3648825	=	0.047	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)CC2(CCO2)C1	CHEMBL3648824	=	0.031	2013	CHEMBL3638937
CC1CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)C1	CHEMBL3648826	=	0.012	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cncc3F)sc2N)c1N1CC[C@H](N)CC(F)(F)C1	CHEMBL3648827	=	0.023	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cncc3F)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648828	=	0.009	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC(C)(O)C1	CHEMBL3648829	=	0.07	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](O)[C@H](O)CC1	CHEMBL3648830	=	0.16	2013	CHEMBL3638937
COC1(CN)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1	CHEMBL3648831	=	0.257	2013	CHEMBL3638937
COc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC(N)CC(F)(F)C3)c(N)s2)c(F)c1	CHEMBL3648832	=	0.006	2013	CHEMBL3638937
Cc1c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC(N)CC(F)(F)C3)c(N)s2)cnn1C	CHEMBL3648833	=	0.026	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3cccc(C#N)n3)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1	CHEMBL3648834	=	0.08	2013	CHEMBL3638937
Cc1nn(C)cc1-c1nc(C(=O)Nc2cnn(C)c2N2CC[C@@H](N)CC(F)(F)C2)c(N)s1	CHEMBL3648835	=	0.03	2013	CHEMBL3638937
Cc1c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)CC(F)(F)C3)c(N)s2)cnn1C	CHEMBL3648836	=	0.018	2013	CHEMBL3638937
Cc1cc(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)CC(F)(F)C3)c(N)s2)ccn1	CHEMBL3648837	=	0.06	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC(C)(O)C1	CHEMBL3648829	=	0.559	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC(C)(O)C1	CHEMBL3648829	=	0.222	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC(C)(O)C1	CHEMBL3648829	=	0.126	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC(C)(O)C1	CHEMBL3648829	=	0.139	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC(C)(O)C1	CHEMBL3648829	=	1.55	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC(C)(O)C1	CHEMBL3648829	=	0.108	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cncc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1	CHEMBL3648816	=	0.242	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cncc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1	CHEMBL3648838	=	0.086	2013	CHEMBL3638937
COC1(C)CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cncc4F)sc3N)cnn2C)C1	CHEMBL3648817	=	0.009	2013	CHEMBL3638937
COC1(C)CC(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cncc4F)sc3N)cnn2C)C1	CHEMBL3648817	=	0.425	2013	CHEMBL3638937
COC1(C)CC(N)CCN(c2c(NC(=O)c3nc(-c4ccncc4F)sc3N)cnn2C)C1	CHEMBL3639476	=	0.212	2013	CHEMBL3638937
COC1(C)CC(N)CCN(c2c(NC(=O)c3nc(-c4ccncc4F)sc3N)cnn2C)C1	CHEMBL3639476	=	0.013	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCNCC2(CCO2)C1	CHEMBL3648839	=	0.188	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNCC2(CCO2)C1	CHEMBL3648840	=	0.251	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(O)(CN)CC1	CHEMBL3648841	=	0.033	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCNC[C@]2(CCO2)C1	CHEMBL3648842	=	0.045	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCNC[C@]2(CCO2)C1	CHEMBL3648842	=	0.496	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNC[C@]2(CCO2)C1	CHEMBL3648843	=	0.383	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNC[C@]2(CCO2)C1	CHEMBL3648843	=	0.131	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC2(CC1)CNCCO2	CHEMBL3648844	=	0.049	2013	CHEMBL3638937
COC1(C)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648845	=	0.035	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H]2OC(=O)N[C@@H]2CC1	CHEMBL3648846	=	0.058	2013	CHEMBL3638937
CC(=O)O[C@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL3648847	=	0.498	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H]2NC(=O)O[C@@H]2CC1	CHEMBL3648848	=	0.353	2013	CHEMBL3638937
CC(=O)O[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@H]1N	CHEMBL3648849	=	0.846	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H](O)[C@H](O)CC1	CHEMBL3648850	=	0.179	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(C)(N)CC(F)(F)C1	CHEMBL3648851	=	0.003	2013	CHEMBL3638937
CC[C@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@]1(CN)OC	CHEMBL3648852	=	0.042	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C2(CCO2)CC1	CHEMBL3648853	=	0.268	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C2(CCO2)CC1	CHEMBL3648853	=	0.038	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1C[C@H]2C[C@H](N)[C@@H](C1)O2	CHEMBL3648854	=	0.888	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(O)(CCO)CC1	CHEMBL3648855	=	0.038	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C2(CCO2)CC1	CHEMBL3648853	=	0.025	2013	CHEMBL3638937
COC1(C)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648845	=	0.04	2013	CHEMBL3638937
COC1(C)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648845	=	0.047	2013	CHEMBL3638937
COC1CCC(c2c(NC(=O)c3nc(-c4ccccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648856	=	0.055	2013	CHEMBL3638937
COC1CCC(c2c(NC(=O)c3nc(-c4ccccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648856	=	0.197	2013	CHEMBL3638937
COC1CCC(c2c(NC(=O)c3nc(-c4ccccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648856	=	0.392	2013	CHEMBL3638937
COC1CCC(c2c(NC(=O)c3nc(-c4ccccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648856	=	0.976	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC2(CNC2)C1	CHEMBL3648857	=	0.129	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H]2OC(=O)N[C@]2(C)CC1	CHEMBL3648858	=	0.084	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C2(CCO2)CC1	CHEMBL3648853	=	0.095	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(C(F)F)CC1	CHEMBL3648859	=	0.556	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(C(F)F)CC1	CHEMBL3648859	=	0.036	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(CO)CC1	CHEMBL3648860	=	0.058	2013	CHEMBL3638937
CCOC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648780	=	0.115	2013	CHEMBL3638937
CCOC1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCC1N	CHEMBL3648780	=	0.035	2013	CHEMBL3638937
CO[C@@H]1[C@H](N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC12CC2	CHEMBL3648861	=	0.019	2013	CHEMBL3638937
CO[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC2(CC2)[C@@H]1N	CHEMBL3648862	=	0.047	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@](C)(N)CC(F)(F)C1	CHEMBL3623162	=	5.0	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(F)C(C)(N)CC1	CHEMBL3648863	=	0.05	2013	CHEMBL3638937
COC1C(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC12CC2	CHEMBL3652032	=	0.004	2013	CHEMBL3638937
COC1C(N)CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC12CC2	CHEMBL3652032	=	0.016	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(F)(CN)CC1	CHEMBL3652033	=	0.068	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(F)(CN)CC1	CHEMBL3652033	=	0.035	2013	CHEMBL3638937
COC1(CN)CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1	CHEMBL3652034	=	0.103	2013	CHEMBL3638937
COC1(CN)CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1	CHEMBL3652034	=	0.039	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@](C)(N)CC(F)(F)C1	CHEMBL3652035	=	0.026	2013	CHEMBL3638937
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1OC1CCNCC1	CHEMBL3652631	=	1.97	2014	CHEMBL3638875
CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@@H](N)CC1	CHEMBL3652647	=	20.0	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@@H](N)C1	CHEMBL3652625	=	0.246	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCC(N)CC1	CHEMBL3652626	=	0.027	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@H](N)CC1	CHEMBL3652640	=	0.368	2014	CHEMBL3638875
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CCF)c1	CHEMBL3652646	=	11.9	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)CC1	CHEMBL3652633	=	0.281	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCCC(N)CC1	CHEMBL3652627	=	0.115	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)c1N1CCC[C@@H](N)CC1	CHEMBL3652643	=	0.897	2014	CHEMBL3638875
CN1CCC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1	CHEMBL3652642	=	7.65	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1NCC1CCNCC1	CHEMBL3652622	=	4.54	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@@H](N)C1	CHEMBL3652635	=	1.92	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1OCC1CCNCC1	CHEMBL3652628	=	1.14	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC[C@H](N)C1	CHEMBL3652630	=	0.274	2014	CHEMBL3638875
CN[C@H]1CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1	CHEMBL3652645	=	0.096	2014	CHEMBL3638875
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cn[nH]c1N1CCC[C@H](N)C1	CHEMBL3652621	=	6.5	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCNCC1	CHEMBL3652644	=	10.4	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(Cl)cnc2N)c1N1CCC[C@H](N)C1	CHEMBL3652634	=	137.0	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2cncc(-c3ccccc3F)n2)c1N1CCC[C@H](N)CC1	CHEMBL3652641	=	22.0	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@@H](N)CC1	CHEMBL3652638	=	0.024	2014	CHEMBL3638875
Cn1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1	CHEMBL3652620	=	16.0	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(Br)cnc2N)c1N1CCC[C@H](N)C1	CHEMBL3652632	=	38.8	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1OC1CCNCC1	CHEMBL3652629	=	4.36	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](CN)C1	CHEMBL3652637	=	0.506	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@H](N)C1	CHEMBL3652623	=	1.22	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3ccccc3)ccc2N)c1N1CCC(N)CC1	CHEMBL3652624	=	0.762	2014	CHEMBL3638875
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@H](CN)C1	CHEMBL3652636	=	0.343	2014	CHEMBL3638875
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)cn1	CHEMBL3961525	=	0.817	2016	CHEMBL3886942
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1=CCOCC1	CHEMBL3962986	=	0.485	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1=CCCCO1	CHEMBL3936435	=	0.408	2016	CHEMBL3886688
COC1(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCCCO1	CHEMBL3939838	=	0.209	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCCCO1	CHEMBL3908398	=	0.424	2016	CHEMBL3886688
COC1(c2c(NC(=O)c3nc(-c4ncccc4F)sc3N)cnn2C)CCCCO1	CHEMBL3956102	=	0.118	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@]12CC[C@H](O)[C@H](CC1)O2	CHEMBL3984745	=	0.032	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C12CCC(N)C(CC1)O2	CHEMBL3954702	=	0.008	2016	CHEMBL3886688
C[C@@H]1CC(O)CC[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)O1	CHEMBL4108744	=	0.049	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C12CCC(O)C(CC1)O2	CHEMBL3963556	=	0.034	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C12CCC(O)C(CC1)O2	CHEMBL3963556	=	0.017	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC[C@@H](O)[C@@H](O)CO1	CHEMBL4106553	=	0.425	2016	CHEMBL3886688
CC[C@@H]1CC(N)CC[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)O1	CHEMBL4109168	=	0.502	2016	CHEMBL3886688
C[C@@H]1CC(N)CC[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)O1	CHEMBL4112467	=	0.019	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC(F)(F)CC(N)CO1	CHEMBL3925922	=	0.032	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@]12CC[C@H](N)[C@H](CC1)O2	CHEMBL3318853	=	0.006	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@]12CC[C@H](O1)[C@H](N)CC2	CHEMBL4113088	=	0.072	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@]12CC[C@H](N)[C@@H](CC1)O2	CHEMBL3934801	=	0.002	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@]12CC[C@@H](N)[C@@H](CC1)O2	CHEMBL4109141	=	0.009	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3919563	=	0.021	2016	CHEMBL3886688
C[C@@H]1C[C@H](N)CCC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)O1	CHEMBL4113916	=	0.081	2016	CHEMBL3886688
C[C@@H]1C[C@@H](N)CC[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)O1	CHEMBL4110368	=	0.003	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC(F)(F)CC(N)CO1	CHEMBL3925922	=	0.014	2016	CHEMBL3886688
CO[C@H]1CCC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)OC[C@@H]1N	CHEMBL3905768	=	0.125	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)C(F)CO1	CHEMBL3896956	=	0.015	2016	CHEMBL3886688
CC[C@@H]1C[C@H](N)CC[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)O1	CHEMBL4107896	=	3.5	2016	CHEMBL3886688
CO[C@@H]1COC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4112716	=	0.026	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1C[C@@H](N)[C@H](F)CCO1	CHEMBL4112915	=	0.112	2016	CHEMBL3886688
CO[C@H]1COC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@H]1N	CHEMBL3895788	=	0.476	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3919563	=	0.006	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1C[C@H](N)[C@@H](F)CCO1	CHEMBL3912067	=	0.358	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC[C@H](N)[C@H](F)CO1	CHEMBL4107716	=	0.27	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC(F)(F)CC(N)CO1	CHEMBL3925922	=	0.014	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC(F)(F)CC(N)CO1	CHEMBL3925922	=	0.076	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(O)CCO1	CHEMBL3897552	=	0.054	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1C[C@@H](F)[C@H](N)CCO1	CHEMBL3318854	=	0.01	2016	CHEMBL3886688
CO[C@@H]1C[C@@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)OCC[C@H]1N	CHEMBL4107345	=	0.057	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1C[C@H](F)[C@@H](N)CCO1	CHEMBL3978119	=	0.099	2016	CHEMBL3886688
CO[C@H]1C[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)OCC[C@@H]1N	CHEMBL3957667	=	1.87	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1C12CCC(CN)(CC1)O2	CHEMBL3900444	=	0.053	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC(F)C(N)CCO1	CHEMBL3928394	=	0.469	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1C[C@@H](N)[C@H](F)CCO1	CHEMBL4112915	=	0.07	2016	CHEMBL3886688
CC1C(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)OCC(C)(O)C1N	CHEMBL3956569	=	0.441	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CCO1	CHEMBL3914816	=	0.194	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)COC1	CHEMBL3942812	=	1.45	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CCC(F)[C@@H](N)CO1	CHEMBL3927346	=	0.351	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1C[C@H](O)CCO1	CHEMBL4114860	=	0.095	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)COC1	CHEMBL3942812	=	0.141	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CC[C@@H](N)C(F)CO1	CHEMBL4111307	=	0.079	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1C[C@@H](O)CCO1	CHEMBL3951554	=	0.174	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CC(F)[C@H](N)CCO1	CHEMBL4107870	=	0.105	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CC(F)[C@@H](N)CCO1	CHEMBL3895991	=	0.068	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CC[C@H](N)C(F)(F)CO1	CHEMBL4113957	=	0.031	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CC[C@H](F)[C@@H](N)CO1	CHEMBL3979941	=	0.114	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4107009	=	0.008	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CC[C@@H](CN)O1	CHEMBL3908838	=	0.104	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4112759	=	0.107	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccccc3OC(F)(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111168	=	0.965	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1C[C@@H](N)CCO1	CHEMBL3978459	=	0.032	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1C[C@@H](N)CCO1	CHEMBL3978459	=	0.019	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1C[C@H](N)CCO1	CHEMBL4108158	=	0.248	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1[C@@]12CC[C@@H](N)[C@@H](CC1)O2	CHEMBL4115609	=	0.013	2016	CHEMBL3886688
CC[C@]1(CO)CO[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)OC1	CHEMBL3973524	=	0.025	2016	CHEMBL3886688
CC[C@]1(CO)CO[C@@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)OC1	CHEMBL3953724	=	1.26	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1OCC(CO)CO1	CHEMBL3929517	=	0.105	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1OCC(CO)CO1	CHEMBL3929517	=	0.647	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1OC[C@@](C)(CO)CO1	CHEMBL3986706	=	0.514	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1OC[C@H](CN)CO1	CHEMBL3976609	=	0.029	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CC[C@@H](N)C(F)(F)CO1	CHEMBL3943948	=	0.013	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CC[C@H](N)C(F)(F)CO1	CHEMBL4113957	=	0.341	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1C[C@@H](N)[C@@H](F)CCO1	CHEMBL3917660	=	0.126	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CC[C@H](CN)O1	CHEMBL4107082	=	0.027	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CC[C@@H](CN)O1	CHEMBL3908838	=	0.15	2016	CHEMBL3886688
CC[C@]1(CN)CO[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)OC1	CHEMBL3907594	=	0.015	2016	CHEMBL3886688
CO[C@@H]1CO[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4112852	=	0.135	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1OC[C@](C)(CN)CO1	CHEMBL3931246	=	0.036	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CC[C@H](N)[C@@H](F)CO1	CHEMBL3895127	=	0.595	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111897	=	0.00342	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1OC[C@@](C)(CN)CO1	CHEMBL3977020	=	0.155	2016	CHEMBL3886688
C[C@H]1O[C@@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)[C@@]1(C)N	CHEMBL4113842	=	0.456	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@H]1N	CHEMBL3950800	=	0.017	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cccc(F)c3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3918462	=	0.004	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3947436	=	0.051	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4ccccc4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4111393	=	0.0143	2016	CHEMBL3886688
C[C@H]1O[C@@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)[C@@]1(C)N	CHEMBL4113842	=	0.484	2016	CHEMBL3886688
C[C@@H]1O[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC(F)(F)[C@]1(C)N	CHEMBL3909959	=	4.35	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3933850	=	0.007	2016	CHEMBL3886688
COc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)ccc2F)c(F)c1	CHEMBL3972439	=	0.027	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(OC4CCOCC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3946292	=	0.03	2016	CHEMBL3886688
COCCOc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)ccc2F)c(F)c1	CHEMBL3939746	=	0.025	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(OCCO)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3911768	=	0.014	2016	CHEMBL3886688
COCCOc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](O)CO3)ccc2F)c(F)c1	CHEMBL4108748	=	0.056	2016	CHEMBL3886688
COCCOc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)ccc2F)c(F)c1	CHEMBL4112262	=	0.023	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)COC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4106673	=	0.034	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)COC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4106721	=	0.022	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114301	=	0.025	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)CCOCC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108678	=	0.006	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(OC4CCOCC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114036	=	0.018	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)CCC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4109184	=	0.021	2016	CHEMBL3886688
COCc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)ccc2F)c(F)c1	CHEMBL4115331	=	0.031	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C(C)(C)O)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111174	=	0.011	2016	CHEMBL3886688
COc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)ccc2F)c(F)c1	CHEMBL4106937	=	0.019	2016	CHEMBL3886688
COC1(c2cc(F)c(-c3nc(C(=O)Nc4cnn(C)c4[C@@H]4CC[C@@H](N)[C@H](F)CO4)ccc3F)c(F)c2)COC1	CHEMBL4107538	=	0.056	2016	CHEMBL3886688
COC1(c2cc(F)c(-c3nc(C(=O)Nc4cnn(C)c4[C@@H]4CC[C@@H](N)[C@@H](F)CO4)ccc3F)c(F)c2)COC1	CHEMBL3951622	=	0.119	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)CC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4107029	=	0.001	2016	CHEMBL3886688
CCC(=O)c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)ccc2F)c(F)c1	CHEMBL4108143	=	0.034	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108539	=	0.016	2016	CHEMBL3886688
CC(O)c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)ccc2F)c(F)c1	CHEMBL4107052	=	0.017	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110434	=	0.012	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(OCCO)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108592	=	0.016	2016	CHEMBL3886688
CC(O)c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)ccc2F)c(F)c1	CHEMBL3900514	=	0.053	2016	CHEMBL3886688
COC(C)c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)ccc2F)c(F)c1	CHEMBL3898682	=	0.037	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C(O)(CO)CO)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3896751	=	0.162	2016	CHEMBL3886688
COC(c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)ccc2F)c(F)c1)C1CC1	CHEMBL4107120	=	0.078	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C(CO)CO)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4112703	=	0.075	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(C4(O)CCOC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110136	=	0.00762	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(C4CCOC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4109372	=	0.011	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(O[C@@H]4CCOC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110034	=	0.003	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(O[C@H]4CCOC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL3970782	=	0.00224	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4cccc(F)c4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4107641	=	0.05	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4ccccc4C(F)(F)F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4112486	=	0.083	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3csc(-c4c(F)cccc4F)n3)cnn2C)CC[C@H]1N	CHEMBL4107751	=	0.066	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3cc(F)ccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111468	=	0.161	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3cccc(F)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114975	=	0.083	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(C4(O)COC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111312	=	0.035	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(C4(O)CC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4109566	=	0.028	2016	CHEMBL3886688
COc1ccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)ccc2F)c(F)c1	CHEMBL4110594	=	0.036	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3cccc(F)c3Cl)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4113681	=	0.57	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cnn(CC(C)(C)O)c3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110801	=	0.124	2016	CHEMBL3886688
COc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1F	CHEMBL4111580	=	0.001	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)ccc(F)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3933891	=	0.031	2016	CHEMBL3886688
Cc1cccnc1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1	CHEMBL4107807	=	0.045	2016	CHEMBL3886688
COc1ncccc1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1	CHEMBL4114489	=	1.11	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccc[nH]c3=O)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4115261	=	0.103	2016	CHEMBL3886688
Cc1noc(C)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1	CHEMBL4115623	=	0.068	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cnn(C4CC4)c3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111541	=	0.068	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cc(F)cc(F)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108053	=	0.255	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ncccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4113791	=	0.107	2016	CHEMBL3886688
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1	CHEMBL4113320	=	0.048	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cncc(F)c3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108881	=	2.66	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccncc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4109242	=	0.34	2016	CHEMBL3886688
Cc1nn(C)cc1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1	CHEMBL4106839	=	0.283	2016	CHEMBL3886688
Cc1c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)cnn1C	CHEMBL4109468	=	0.218	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)ccc(F)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4106499	=	0.047	2016	CHEMBL3886688
Cc1noc(C)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@@H](F)CO2)cs1	CHEMBL3914906	=	5.98	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc(F)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3967921	=	0.104	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cncc(F)c3)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3941854	=	5.76	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cncc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3956890	=	0.112	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc(Cl)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3929314	=	0.064	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc(-c4cccc(Cl)c4F)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3944114	=	0.533	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc(F)c3Cl)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3912669	=	0.132	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc(F)c3-c3cccc(F)c3Cl)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3952815	=	630.0	2016	CHEMBL3886688
Cn1cc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)cs2)c(C(F)(F)F)n1	CHEMBL3925116	=	0.281	2016	CHEMBL3886688
Cn1cc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)cs2)c(C2CC2)n1	CHEMBL3892639	=	0.253	2016	CHEMBL3886688
Cc1nn(C)cc1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@@H](F)CO2)c(N)s1	CHEMBL3965176	=	0.026	2016	CHEMBL3886688
Cc1c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)c(N)s2)cnn1C	CHEMBL3938654	=	0.007	2016	CHEMBL3886688
CC(C)n1cc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)c(N)s2)cn1	CHEMBL3910710	=	0.093	2016	CHEMBL3886688
Cc1c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)c(N)s2)cnn1C	CHEMBL4109239	=	0.025	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3csc(-c4c(F)ccc(F)c4F)n3)cnn2C)CC[C@H]1N	CHEMBL4107651	=	0.145	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3919573	=	0.01	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)ccc(F)c3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3901936	=	0.004	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cc(F)cc(F)c3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3895936	=	0.037	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4c(F)ccc(F)c4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4108653	=	0.01	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4cc(F)cc(F)c4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4107816	=	0.127	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4cc(C)ccc4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4109191	=	0.02	2016	CHEMBL3886688
COc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](OC)CO3)cs2)c(F)c1	CHEMBL4107515	=	0.034	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccccc3OC(F)(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3976523	=	0.155	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cccc(F)c3C(F)(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3938462	=	0.098	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3968011	=	0.028	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4c(C)cccc4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4109373	=	0.052	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccccc3C(F)(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3955893	=	0.053	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(C3=CCCC3)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3936458	=	0.062	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(C3CCCC3)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3912044	=	0.992	2016	CHEMBL3886688
Cc1cccc(F)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@@H](F)CO2)c(N)s1	CHEMBL3922546	=	0.007	2016	CHEMBL3886688
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)c(N)s2)c1	CHEMBL3899457	=	0.02	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cc(C(O)C4CC4)cc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4115413	=	0.037	2016	CHEMBL3886688
COC(c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1)C1CC1	CHEMBL4113793	=	0.084	2016	CHEMBL3886688
COc1ccc(F)c(F)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@@H](F)CO2)c(N)s1	CHEMBL3913075	=	0.143	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3C(F)(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3982938	=	0.061	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4C(F)(F)F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4107249	=	0.083	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4Cl)sc3N)cnn2C)CC[C@H]1N	CHEMBL4107753	=	0.014	2016	CHEMBL3886688
CO[C@H]1CO[C@H](c2c(NC(=O)c3nc(-c4cc(Cl)ccc4F)sc3N)cnn2C)CC[C@H]1N	CHEMBL4114955	=	0.007	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cnn(C)c3C(F)(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4106441	=	0.058	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cnn(C)c3C(F)(F)F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3963752	=	0.171	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cccc3Cl)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4115305	=	0.22	2016	CHEMBL3886688
CCOc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1F	CHEMBL4107575	=	0.001	2016	CHEMBL3886688
COc1ccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)cs2)c(F)c1	CHEMBL3920787	=	0.053	2016	CHEMBL3886688
COc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@@H](F)CO3)cs2)c(F)c1	CHEMBL3929166	=	0.035	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C(C)(C)O)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3911392	=	0.08	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)CCC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3939366	=	0.0131	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cc(Cl)ccc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4113425	=	0.018	2016	CHEMBL3886688
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)c(N)s2)c1	CHEMBL4106948	=	0.024	2016	CHEMBL3886688
COc1ccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1	CHEMBL4109162	=	0.059	2016	CHEMBL3886688
CC(O)c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1	CHEMBL4111956	=	0.029	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(C4(O)CCC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114448	=	0.027	2016	CHEMBL3886688
COc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1	CHEMBL4115274	=	0.031	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(C(C)(C)O)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4115417	=	0.021	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccccc3C(F)F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114075	=	0.783	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cc(Br)ccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114425	=	0.023	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccncc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4109242	=	0.134	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cc(F)ccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4115174	=	0.058	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cc(Cl)ccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108082	=	0.031	2016	CHEMBL3886688
Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1F	CHEMBL4113395	=	0.013	2016	CHEMBL3886688
C[C@@H](O)c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1	CHEMBL4109272	=	0.014	2016	CHEMBL3886688
C[C@H](O)c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1	CHEMBL3958042	=	0.008	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc(F)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111105	=	0.044	2016	CHEMBL3886688
CCc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1	CHEMBL4111573	=	0.081	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc(Cl)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108977	=	0.054	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc(F)c3Cl)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114091	=	0.274	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cc(C4CC4)ccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108995	=	0.093	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccccc3C(F)(F)F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4112684	=	1.65	2016	CHEMBL3886688
Cc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1	CHEMBL4106822	=	0.003	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccc(Cl)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4109634	=	0.002	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc(C(F)(F)F)n3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4107108	=	2.08	2016	CHEMBL3886688
Cc1cccc(F)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1	CHEMBL4115456	=	0.091	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110546	=	0.00509	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3943377	=	0.098	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	CHEMBL3932403	=	0.038	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccccc3)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110700	=	0.036	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111122	=	0.0137	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111273	=	0.072	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccccc3C(F)(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111768	=	0.283	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cccc(F)c3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4106982	=	0.019	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccc(F)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4112670	=	0.05	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccccn3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114312	=	0.031	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccccc3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4106898	=	0.021	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3Cl)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111624	=	0.036	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(Cl)cccc3C(F)(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110788	=	0.071	2016	CHEMBL3886688
Cc1cccc(F)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)c(N)s1	CHEMBL4108045	=	0.016	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3C(F)(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4112657	=	0.104	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3c(F)ccc(F)c3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4107986	=	0.003	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(C3=CCCC3)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4112068	=	0.03	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(C3CCCC3)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4113481	=	0.453	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3ccccc3C(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110086	=	0.092	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cccc(F)c3C(F)(F)F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4112655	=	0.188	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cccc(F)c3Cl)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108233	=	0.015	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2nc(-c3cccc(Cl)c3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4107709	=	0.007	2016	CHEMBL3886688
COC1(c2cc(F)c(-c3nc(C(=O)Nc4cnn(C)c4[C@@H]4CC[C@@H](N)[C@H](F)CO4)cs3)c(F)c2)COC1	CHEMBL4109861	=	0.014	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(C4(F)COC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4113050	=	0.01	2016	CHEMBL3886688
C[C@H]1O[C@@H](c2c(NC(=O)c3csc(-c4c(F)cccc4F)n3)cnn2C)C[C@@H](N)[C@]1(C)O	CHEMBL3318855	=	0.003	2016	CHEMBL3886688
C[C@@H]1O[C@@H](c2c(NC(=O)c3csc(-c4c(F)cccc4F)n3)cnn2C)C[C@H](N)[C@@]1(C)O	CHEMBL3950660	=	2.3	2016	CHEMBL3886688
CO[C@@H]1CO[C@H](c2c(NC(=O)c3csc(-c4c(F)cccc4F)n3)cnn2C)CC[C@H]1N	CHEMBL4107489	=	0.014	2016	CHEMBL3886688
CO[C@@H]1CO[C@H](c2c(NC(=O)c3csc(-c4ncccc4C)n3)cnn2C)CC[C@H]1N	CHEMBL4109749	=	0.014	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cncc3Cl)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4107388	=	3.12	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](O)CO1	CHEMBL4106683	>	667.0	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c1[C@H]1CC[C@H](N)[C@H](O)CO1	CHEMBL3914983	=	0.076	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](O)CO1	CHEMBL4108866	=	0.174	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c1[C@H]1CC[C@H](N)[C@@H](O)CO1	CHEMBL3911033	=	0.111	2016	CHEMBL3886688
CN(C)C(=O)c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1	CHEMBL4114435	=	0.083	2016	CHEMBL3886688
CO[C@@H]1CO[C@H](c2c(NC(=O)c3csc(-c4c(F)cc(C)cc4F)n3)cnn2C)CC[C@H]1N	CHEMBL4108804	=	0.035	2016	CHEMBL3886688
COc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1	CHEMBL4113939	=	0.053	2016	CHEMBL3886688
COc1cccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1	CHEMBL4111420	=	0.035	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(C4CC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108945	=	0.009	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3ccc(Cl)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114315	=	0.007	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)ccc(S(C)(=O)=O)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108976	=	1.85	2016	CHEMBL3886688
Cc1cccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1F	CHEMBL4106639	=	0.068	2016	CHEMBL3886688
COc1cccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1F	CHEMBL4108356	=	0.036	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)ccc(C4CC4)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4109164	=	0.034	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(F)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111279	=	0.039	2016	CHEMBL3886688
C[C@H](O)c1ccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1F	CHEMBL3920439	=	0.069	2016	CHEMBL3886688
C[C@@H](O)c1ccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1F	CHEMBL4115247	=	0.14	2016	CHEMBL3886688
CC(C)C(=O)c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c(F)c1	CHEMBL4112719	=	0.061	2016	CHEMBL3886688
COc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](OC)CO3)cs2)c1F	CHEMBL4108074	=	0.03	2016	CHEMBL3886688
Cc1cccc(F)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)c(C)s1	CHEMBL4108759	=	3.59	2016	CHEMBL3886688
Cc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110892	=	0.382	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc([C@@H]4CCCO4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114977	=	0.057	2016	CHEMBL3886688
Cc1[nH]nc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1C	CHEMBL4108293	=	0.064	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3n[nH]c4c3CCC(C)(C)C4)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4113383	=	0.009	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3n[nH]c4c3CCCC4)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4109317	=	0.023	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(Cl)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111887	=	0.036	2016	CHEMBL3886688
CN(C)C(=O)c1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1F	CHEMBL4111691	=	0.727	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)ccc(C(F)F)c3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4107399	=	0.031	2016	CHEMBL3886688
COc1ccc(C(F)F)c(F)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1	CHEMBL4109105	=	1.48	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cc[nH]n3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4106791	=	0.129	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc([C@H]4CCCO4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL3318856	=	0.071	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3n[nH]c4ccccc34)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110513	=	0.022	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cccc3CO)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108206	=	7.2	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccnc3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108256	=	0.991	2016	CHEMBL3886688
CC(C)Oc1ncccc1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1	CHEMBL4109435	=	9.7	2016	CHEMBL3886688
CN(C)c1ccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)cn1	CHEMBL4111835	=	0.2	2016	CHEMBL3886688
CC(=O)Nc1ccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)cn1	CHEMBL4113280	=	0.389	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cc(=O)n(C)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4110938	=	0.954	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-n3cccn3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4112316	=	0.157	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-n3ncc4c3CCCC4)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4111317	=	0.02	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-n3cc4c(n3)CCCC4)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114572	=	0.267	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc4c(c3F)OCC4)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4113411	=	0.024	2016	CHEMBL3886688
Cc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)ccc2F)c(F)c1	CHEMBL4112985	=	0.041	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3ccc(C4(C)COC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4107524	=	0.003	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)cc(C(C)(F)F)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4109607	=	0.018	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-n3ncc4ccccc43)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108169	=	0.085	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-n3cc4ccccc4n3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4113580	=	0.002	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4114301	=	0.016	2016	CHEMBL3886688
Cc1cccnc1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)c(N)s1	CHEMBL4109001	=	0.004	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cnc4cccnc4c3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4108834	=	0.21	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3c(F)ccc4[nH]ccc34)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4112826	=	0.011	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc(OCc4ccccc4)c3)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4107422	=	0.447	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc4c3cnn4C)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4112100	=	0.117	2016	CHEMBL3886688
Cn1ncc(NC(=O)c2csc(-c3cccc4cnn(C)c34)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	CHEMBL4113518	=	5.91	2016	CHEMBL3886688
Cc1n[nH]c2cnc(-c3cccnc3)cc12	CHEMBL3634786	=	190.0	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cn[nH]c3)cc12	CHEMBL3634788	=	302.0	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3ccn[nH]3)cc12	CHEMBL3903439	=	1300.0	2016	CHEMBL3886525
N[C@H]1CCCN(Cc2n[nH]c3cnc(-c4cccnc4)cc23)C1	CHEMBL3927899	=	3000.0	2016	CHEMBL3886525
N[C@@H]1CCCN(Cc2n[nH]c3cnc(-c4cccnc4)cc23)C1	CHEMBL4107898	=	3400.0	2016	CHEMBL3886525
NC1CCN(Cc2n[nH]c3cnc(-c4cccnc4)cc23)CC1	CHEMBL3944164	=	1400.0	2016	CHEMBL3886525
N[C@H]1CCCN(Cc2n[nH]c3cnc(-c4cn[nH]c4)cc23)C1	CHEMBL3923702	=	3000.0	2016	CHEMBL3886525
NC1CCN(Cc2n[nH]c3cnc(-c4cn[nH]c4)cc23)CC1	CHEMBL3899149	=	1100.0	2016	CHEMBL3886525
c1cncc(-c2cc3c(CNC4CCNCC4)n[nH]c3cn2)c1	CHEMBL3928385	=	3800.0	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cncc(N4CCC(N)CC4)n3)cc12	CHEMBL3634778	=	5.8	2016	CHEMBL3886525
N[C@H]1CCCN(Cc2n[nH]c3cnc(-c4cn[nH]c4)cc23)C1	CHEMBL3923702	=	4000.0	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cnccc3N3CCC[C@H](N)C3)cc12	CHEMBL3634792	=	3500.0	2016	CHEMBL3886525
c1cncc(-c2cc3c(CNCC4CCNCC4)n[nH]c3cn2)c1	CHEMBL3937388	=	3200.0	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cnn(C4COC4)c3)cc12	CHEMBL3905806	=	844.0	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cncnc3)cc12	CHEMBL3950347	=	3500.0	2016	CHEMBL3886525
c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)cc1	CHEMBL3634790	=	9.65	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cccnc3)cc12	CHEMBL3922631	=	122.0	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cnccn3)cc12	CHEMBL3972080	=	620.0	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cnccc3N3CCC[C@@H](N)C3)cc12	CHEMBL4111877	=	1100.0	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cncc(N4CCC[C@H](N)C4)n3)cc12	CHEMBL3912557	=	4.78	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cncc(N4CCC[C@@H](N)C4)n3)cc12	CHEMBL4107866	=	6.91	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cccc(F)c3)cc12	CHEMBL3898821	=	2200.0	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cncc(F)c3)cc12	CHEMBL3935240	=	737.0	2016	CHEMBL3886525
N[C@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)C1	CHEMBL3634793	=	14.2	2016	CHEMBL3886525
NC(=O)c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)c1	CHEMBL3912777	=	307.0	2016	CHEMBL3886525
FC(F)(F)c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)c1	CHEMBL3925624	=	15.9	2016	CHEMBL3886525
Cc1n[nH]c2cnc(-c3cnn(C)c3)cc12	CHEMBL3985950	=	261.0	2016	CHEMBL3886525
NC1CCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)CC1	CHEMBL3951910	=	1500.0	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccccc4F)n[nH]c3cn2)cn1	CHEMBL3959473	=	7.85	2016	CHEMBL3886525
NC[C@@H]1CCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)C1	CHEMBL3918515	=	1500.0	2016	CHEMBL3886525
Fc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1	CHEMBL3941039	=	13.1	2016	CHEMBL3886525
O=c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)[nH]1	CHEMBL3913040	=	130.0	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccccc4)n[nH]c3cn2)cn1	CHEMBL3966229	=	5.57	2016	CHEMBL3886525
N#CCc1n[nH]c2cnc(-c3cccnc3)cc12	CHEMBL3899646	=	826.0	2016	CHEMBL3886525
Cn1cc(-c2cc3c(CC#N)n[nH]c3cn2)cn1	CHEMBL3955073	=	387.0	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cn[nH]c3)cc12	CHEMBL3922340	=	8.69	2016	CHEMBL3886525
c1ccc(-c2n[nH]c3cnc(-c4cn[nH]c4)cc23)cc1	CHEMBL3983797	=	4.61	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cncnc3)cc12	CHEMBL3964227	=	577.0	2016	CHEMBL3886525
NC1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)CC1	CHEMBL3962397	=	255.0	2016	CHEMBL3886525
NC[C@@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)C1	CHEMBL3902734	=	412.0	2016	CHEMBL3886525
N[C@@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)C1	CHEMBL4111247	=	142.0	2016	CHEMBL3886525
c1ccc(-c2n[nH]c3cnc(-n4cncn4)cc23)cc1	CHEMBL3897249	=	306.0	2016	CHEMBL3886525
NCCNc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1	CHEMBL3634780	=	0.312	2016	CHEMBL3886525
NC1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL3948473	=	0.0839	2016	CHEMBL3886525
N#CCc1n[nH]c2cnc(-c3cn[nH]c3)cc12	CHEMBL3924181	=	324.0	2016	CHEMBL3886525
c1ccc(-c2n[nH]c3cnc(-n4ccnc4)cc23)cc1	CHEMBL3898059	=	26.7	2016	CHEMBL3886525
NC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1	CHEMBL3634779	=	0.121	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3O[C@H]3CCCNC3)cc12	CHEMBL3911749	=	0.342	2016	CHEMBL3886525
N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4108413	=	0.027	2016	CHEMBL3886525
c1ccc(-c2n[nH]c3cnc(-c4cncnc4)cc23)cc1	CHEMBL3891613	=	209.0	2016	CHEMBL3886525
N[C@H]1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)C1	CHEMBL3903586	=	0.179	2016	CHEMBL3886525
N[C@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)C1	CHEMBL3900279	=	0.12	2016	CHEMBL3886525
N[C@@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)C1	CHEMBL4107874	=	0.114	2016	CHEMBL3886525
N[C@@H]1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)C1	CHEMBL4107949	=	0.302	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OCC3CCNCC3)cc12	CHEMBL3955029	=	0.614	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cn[nH]c4)n[nH]c3cn2)c1	CHEMBL3967003	=	2.31	2016	CHEMBL3886525
NC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)CC1	CHEMBL3960318	=	1.31	2016	CHEMBL3886525
NC1CCN(c2cncc(-c3n[nH]c4cnc(-c5cccnc5)cc34)c2)CC1	CHEMBL3894842	=	2.1	2016	CHEMBL3886525
NCCNc1cc(-c2n[nH]c3cnc(-c4cccnc4)cc23)ccn1	CHEMBL3965036	=	0.941	2016	CHEMBL3886525
NC1CCN(c2cc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccn2)CC1	CHEMBL3933778	=	2.78	2016	CHEMBL3886525
N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3956349	=	0.0411	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1	CHEMBL3634781	=	0.037	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)cn1	CHEMBL3950271	=	1.92	2016	CHEMBL3886525
NC[C@H]1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)C1	CHEMBL4108596	=	1.9	2016	CHEMBL3886525
NCC1CCN(c2cncc(-c3n[nH]c4cnc(-c5cccnc5)cc34)c2)CC1	CHEMBL3955565	=	0.985	2016	CHEMBL3886525
NC1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)CC1	CHEMBL3895408	=	0.574	2016	CHEMBL3886525
NCC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)CC1	CHEMBL3966702	=	1.71	2016	CHEMBL3886525
NC[C@H]1CCN(c2cncc(-c3n[nH]c4cnc(-c5cccnc5)cc34)c2)C1	CHEMBL4112208	=	1.6	2016	CHEMBL3886525
NC1CCCN(c2cncc(-c3n[nH]c4cnc(-c5cccnc5)cc34)c2)CC1	CHEMBL3929444	=	1.35	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cncc(NC5CCNCC5)c4)n[nH]c3cn2)c1	CHEMBL3914452	=	0.443	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cncc(NC4CCNCC4)c3)cc12	CHEMBL3984278	=	2.42	2016	CHEMBL3886525
COc1ccc(F)c(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)c1	CHEMBL3924840	=	3.76	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3634758	=	0.06	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC(N)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3980792	=	0.086	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cnn(C5CCNCC5)c4)n[nH]c3cn2)c1	CHEMBL3943201	=	0.3	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cccnc4)n[nH]c3cn2)c1	CHEMBL3972762	=	6.46	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3634756	=	0.0355	2016	CHEMBL3886525
NC(=O)Cn1cc(-c2cc3c(-c4cccc(F)n4)n[nH]c3cn2)cn1	CHEMBL3971764	=	17.6	2016	CHEMBL3886525
N[C@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1	CHEMBL3891729	=	0.061	2016	CHEMBL3886525
N[C@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)C1	CHEMBL3957209	=	0.264	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(C4CCCOC4)cc23)nc(N2CCNCC2)c1	CHEMBL3634763	=	3.96	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC(CN)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3961362	=	0.085	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(NCC5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3957883	=	0.426	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(-c5cnn(C)c5)n4)n[nH]c3cn2)cn1	CHEMBL3952046	=	0.502	2016	CHEMBL3886525
c1ccc(-c2n[nH]c3cnc(-c4ccoc4)cc23)cc1	CHEMBL3976039	=	70.9	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cnn(CC5CCNCC5)c4)n[nH]c3cn2)c1	CHEMBL3950139	=	0.717	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)c1	CHEMBL3967523	=	0.015	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCCC(N)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3937913	=	0.039	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CC[C@@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3634757	=	0.136	2016	CHEMBL3886525
N[C@H]1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)C1	CHEMBL3923325	=	0.27	2016	CHEMBL3886525
N[C@@H]1CCCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)cn2)C1	CHEMBL4111884	=	0.404	2016	CHEMBL3886525
N[C@@H]1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)C1	CHEMBL4106476	=	0.511	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cc[nH]n4)n[nH]c3cn2)c1	CHEMBL3895346	=	2.63	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4ccncc4)n[nH]c3cn2)c1	CHEMBL3910899	=	8.77	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OC3CCNCC3)cc12	CHEMBL3969949	=	0.567	2016	CHEMBL3886525
N[C@H]1CCCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)cn2)C1	CHEMBL3900770	=	0.774	2016	CHEMBL3886525
NC1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL3891654	=	0.038	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OC3CNC3)cc12	CHEMBL3968244	=	3.12	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OCC3CCCNC3)cc12	CHEMBL3928742	=	0.354	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(NC5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3906211	=	0.092	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OCC3CCCNC3)cc12	CHEMBL3928742	=	1.52	2016	CHEMBL3886525
N[C@H]1CCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)cn2)C1	CHEMBL3918765	=	1.0	2016	CHEMBL3886525
N[C@@H]1CCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)cn2)C1	CHEMBL4114227	=	1.02	2016	CHEMBL3886525
c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1	CHEMBL3634791	=	11.6	2016	CHEMBL3886525
Cc1ccc(F)c(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)c1	CHEMBL3925376	=	6.08	2016	CHEMBL3886525
N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cncc(F)c5)cc34)n2)C1	CHEMBL3953052	=	0.172	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3NCC3CCNCC3)cc12	CHEMBL3983008	=	22.7	2016	CHEMBL3886525
Fc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1	CHEMBL3954344	=	0.284	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OC[C@@H]3CCNC3)cc12	CHEMBL4113130	=	0.189	2016	CHEMBL3886525
N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cncc(F)c5)cc34)n2)C1	CHEMBL4111497	=	0.206	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OC[C@H]3CCNC3)cc12	CHEMBL3894135	=	1.28	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(C4CCOC4)cc23)nc(N2CCNCC2)c1	CHEMBL3940311	=	8.48	2016	CHEMBL3886525
c1ccc(-c2n[nH]c3cnc(-c4cnccn4)cc23)cc1	CHEMBL3945643	=	41.6	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4ccn(C5CCNCC5)n4)n[nH]c3cn2)c1	CHEMBL3949010	=	0.313	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5C[C@@H]6C[C@H]5CN6)n4)n[nH]c3cn2)cn1	CHEMBL3921180	=	0.126	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(NCCc5c[nH]cn5)n4)n[nH]c3cn2)cn1	CHEMBL3900487	=	0.297	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnc[nH]3)cc12	CHEMBL3924978	=	30.9	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccn3)cc12	CHEMBL3985731	=	33.5	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OCCC3CCNCC3)cc12	CHEMBL3915982	=	0.379	2016	CHEMBL3886525
Cn1cc(-c2n[nH]c3cnc(-c4cncc(N5CCC(N)CC5)n4)cc23)cn1	CHEMBL3977619	=	0.096	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)c4)n[nH]c3cn2)cn1	CHEMBL3634759	=	0.387	2016	CHEMBL3886525
CN1CCN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)CC1=O	CHEMBL3918297	=	38.5	2016	CHEMBL3886525
NC(=O)Nc1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1	CHEMBL3634775	=	1.96	2016	CHEMBL3886525
C1=C(c2n[nH]c3cnc(-c4cccnc4)cc23)CCC1	CHEMBL3972654	=	2.83	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCCCC(N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3901549	=	0.051	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3897198	=	0.069	2016	CHEMBL3886525
c1cncc(-c2cc3c(C4CCCC4)n[nH]c3cn2)c1	CHEMBL3891378	=	43.0	2016	CHEMBL3886525
NC(=O)C1(N)CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL3908723	=	0.22	2016	CHEMBL3886525
Cn1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1	CHEMBL3951436	=	7.16	2016	CHEMBL3886525
Cn1ccc(-c2n[nH]c3cnc(-c4cncc(N5CCC(N)CC5)n4)cc23)n1	CHEMBL3923115	=	0.051	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3634770	=	0.036	2016	CHEMBL3886525
N#CCc1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1	CHEMBL3898594	=	583.0	2016	CHEMBL3886525
CNC(=O)C1(N)CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL3914130	=	0.353	2016	CHEMBL3886525
NCC[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4108655	=	0.042	2016	CHEMBL3886525
Nc1ncccc1-c1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1	CHEMBL3900915	=	0.267	2016	CHEMBL3886525
N[C@@H]1CCC[C@H](Nc2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4114921	=	0.3	2016	CHEMBL3886525
N#Cc1cc(-c2n[nH]c3cnc(-c4cccnc4)cc23)cc(N2CCNCC2)c1	CHEMBL3906142	=	5.28	2016	CHEMBL3886525
NC1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Cl)CC1	CHEMBL3934124	=	0.096	2016	CHEMBL3886525
NCC[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3918702	=	0.03	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC(N)CC1	CHEMBL3943091	=	0.049	2016	CHEMBL3886525
N[C@@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)CC1	CHEMBL4115471	=	0.03	2016	CHEMBL3886525
N[C@H]1CCC[C@@H](Nc2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3919783	=	0.0079	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)CC5)n4)n[nH]c3cn2)cn1	CHEMBL4107359	=	0.03	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(C5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3634768	=	0.224	2016	CHEMBL3886525
N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL3913942	=	0.048	2016	CHEMBL3886525
N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL4113655	=	0.02	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cnn(CC(C)(C)O)c4)n[nH]c3cn2)cn1	CHEMBL3941916	=	0.389	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N[C@H]5CC[C@@H](N)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3941538	=	0.04	2016	CHEMBL3886525
c1cncc(-c2cc3c(N4CCCC4)n[nH]c3cn2)c1	CHEMBL3984500	=	10.0	2016	CHEMBL3886525
NC(=O)Cc1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1	CHEMBL3634774	=	171.0	2016	CHEMBL3886525
CN1CCN(c2n[nH]c3cnc(-c4cccnc4)cc23)C1=O	CHEMBL3941449	=	18.5	2016	CHEMBL3886525
CN1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Cl)CC1	CHEMBL3971052	=	0.113	2016	CHEMBL3886525
c1ccc(-c2cc3c(-c4ccccn4)n[nH]c3cn2)nc1	CHEMBL3969982	=	1500.0	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCN(C)CC1	CHEMBL3895332	=	0.032	2016	CHEMBL3886525
O=C1CCCN1c1n[nH]c2cnc(-c3cccnc3)cc12	CHEMBL3955484	=	80.9	2016	CHEMBL3886525
CN1CC(c2cc3c(-c4ccccc4)n[nH]c3cn2)=CC1=O	CHEMBL3984117	=	920.0	2016	CHEMBL3886525
O=C1CCCCN1c1n[nH]c2cnc(-c3cccnc3)cc12	CHEMBL3980997	=	1100.0	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cccc(N5CCCCC5)n4)n[nH]c3cn2)c1	CHEMBL3941606	=	0.415	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCCC(O)C5)n4)n[nH]c3cn2)cn1	CHEMBL3916440	=	0.071	2016	CHEMBL3886525
CN1CC(c2cc3c(-c4ccccc4)n[nH]c3cn2)CC1=O	CHEMBL3986201	=	241.0	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(O[C@@H]5CCCNC5)n4)n[nH]c3cn2)cn1	CHEMBL3634755	=	0.27	2016	CHEMBL3886525
N[C@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Cl)C1	CHEMBL3893927	=	0.019	2016	CHEMBL3886525
N[C@@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Cl)C1	CHEMBL4111896	=	0.06	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)c1	CHEMBL3930859	=	0.262	2016	CHEMBL3886525
N[C@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3902873	=	0.0268	2016	CHEMBL3886525
NC[C@@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3915324	=	0.113	2016	CHEMBL3886525
NC[C@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4112458	=	0.085	2016	CHEMBL3886525
O[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4111020	=	0.073	2016	CHEMBL3886525
OC1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL3922007	=	0.149	2016	CHEMBL3886525
c1cncc(-c2cc3c(-c4cccc(N5CCC(C6CCNCC6)CC5)n4)n[nH]c3cn2)c1	CHEMBL3910227	=	0.07	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1F	CHEMBL3938145	=	4.77	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1	CHEMBL3922627	=	6.92	2016	CHEMBL3886525
N[C@@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4110042	=	0.188	2016	CHEMBL3886525
NCC1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL3923697	=	0.1	2016	CHEMBL3886525
O=C1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCN1	CHEMBL3901155	=	0.351	2016	CHEMBL3886525
C1=C(c2n[nH]c3cnc(-c4cccnc4)cc23)CCCO1	CHEMBL3921989	=	28.8	2016	CHEMBL3886525
OCCN1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL3973141	=	0.164	2016	CHEMBL3886525
NCCCCNc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1	CHEMBL3949697	=	0.257	2016	CHEMBL3886525
C1=C(c2n[nH]c3cnc(-c4cccnc4)cc23)CCO1	CHEMBL3918383	=	10.6	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL4087164	=	0.0473	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC(N)(C(F)(F)F)C5)n4)n[nH]c3cn2)cn1	CHEMBL3912940	=	0.093	2016	CHEMBL3886525
N[C@@H]1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1	CHEMBL4114322	=	0.118	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC(O)CC1	CHEMBL3939866	=	0.086	2016	CHEMBL3886525
N[C@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1	CHEMBL3946733	=	0.017	2016	CHEMBL3886525
N[C@@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1	CHEMBL4113881	=	0.082	2016	CHEMBL3886525
O[C@@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1	CHEMBL4110399	=	0.261	2016	CHEMBL3886525
OC1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)CC1	CHEMBL3964935	=	0.181	2016	CHEMBL3886525
O[C@@H]1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1	CHEMBL4115192	=	0.412	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC(O)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3973045	=	0.168	2016	CHEMBL3886525
O=C1N(c2n[nH]c3cnc(-c4cccnc4)cc23)CCC12CCNCC2	CHEMBL3934563	=	39.9	2016	CHEMBL3886525
O=C1N(CC2CCNCC2)CCN1c1n[nH]c2cnc(-c3cccnc3)cc12	CHEMBL3962063	=	9.74	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(NCC(C)(C)O)n4)n[nH]c3cn2)cn1	CHEMBL3925682	=	0.034	2016	CHEMBL3886525
NC(=O)Nc1cc2c(-c3cccc(N4CCC[C@H](N)C4)n3)n[nH]c2cn1	CHEMBL3956649	=	14.1	2016	CHEMBL3886525
N[C@H]1CCC[C@@H](Oc2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3920195	=	0.664	2016	CHEMBL3886525
N[C@@H]1CCCN(c2nccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4108767	=	0.07	2016	CHEMBL3886525
O=C1CNCCN1c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1	CHEMBL3913561	=	2.95	2016	CHEMBL3886525
NC(=O)c1ccnc(-c2n[nH]c3cnc(-c4cccnc4)cc23)c1	CHEMBL3987002	=	6.0	2016	CHEMBL3886525
O=C1N(CC2CCNC2)CCN1c1n[nH]c2cnc(-c3cccnc3)cc12	CHEMBL3936994	=	4.11	2016	CHEMBL3886525
N[C@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1=O	CHEMBL3909060	=	0.556	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CC[C@H](O)C1	CHEMBL3921516	=	0.091	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CC[C@@H](O)C1	CHEMBL4115619	=	0.22	2016	CHEMBL3886525
C=Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3922596	=	0.014	2016	CHEMBL3886525
C=C(C)c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3894581	=	0.01	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@@H](O)C1	CHEMBL4114163	=	0.112	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@@H](N)C1	CHEMBL4106453	=	0.137	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@@H](N)CC1	CHEMBL4115125	=	0.03	2016	CHEMBL3886525
N[C@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)CC1	CHEMBL3902989	=	0.029	2016	CHEMBL3886525
N[C@@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)CC1	CHEMBL4114430	=	0.028	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)CC1	CHEMBL3903449	=	0.025	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3900009	=	0.00806	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CC[C@@H](N)C1	CHEMBL4078203	=	0.0549	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CC[C@H](N)C1	CHEMBL3905211	=	0.059	2016	CHEMBL3886525
O[C@H]1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1	CHEMBL3910790	=	0.059	2016	CHEMBL3886525
c1cncc(-c2cc3c(N4CCC(N5CCNCC5)C4)n[nH]c3cn2)c1	CHEMBL3919728	=	3.86	2016	CHEMBL3886525
N[C@H]1C[C@@H](F)CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4109361	=	0.0662	2016	CHEMBL3886525
O=C1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCCN1	CHEMBL3929791	=	0.322	2016	CHEMBL3886525
c1ccc(-c2n[nH]c3cnc(-c4cncs4)cc23)cc1	CHEMBL3920391	=	33.0	2016	CHEMBL3886525
NCC1CCCCN1c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1	CHEMBL3895900	=	0.296	2016	CHEMBL3886525
NC1CCN(C(=O)C2CCN(c3n[nH]c4cnc(-c5cccnc5)cc34)C2=O)CC1	CHEMBL3911463	=	106.0	2016	CHEMBL3886525
NCCNC(=O)c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1	CHEMBL3981452	=	17.7	2016	CHEMBL3886525
CCc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3890794	=	0.035	2016	CHEMBL3886525
CC(C)c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3943830	=	0.046	2016	CHEMBL3886525
O=C(NC1CNC1)c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1	CHEMBL3967979	=	16.5	2016	CHEMBL3886525
CN1CCN(c2cc3c(-c4ccccc4)n[nH]c3cn2)CC1=O	CHEMBL3938434	=	660.0	2016	CHEMBL3886525
CN1CCN(c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)CC1=O	CHEMBL3963658	=	721.0	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccccn4)n[nH]c3cn2)cn1	CHEMBL3634766	=	7.71	2016	CHEMBL3886525
NCCC1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3929385	=	0.13	2016	CHEMBL3886525
N[C@H]1CCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)nc2)C1=O	CHEMBL3936599	=	1.57	2016	CHEMBL3886525
O=C1CN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)CCN1	CHEMBL3634764	=	12.6	2016	CHEMBL3886525
NC1CCN(C(=O)c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL3952671	=	12.7	2016	CHEMBL3886525
O=C(NC1CCNCC1)c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1	CHEMBL3928085	=	30.5	2016	CHEMBL3886525
c1ccc(-c2n[nH]c3cnc(-c4cncs4)cc23)nc1	CHEMBL3955711	=	24.5	2016	CHEMBL3886525
CN1CCN(c2cc3c(-c4ccccc4F)n[nH]c3cn2)CC1=O	CHEMBL3954672	=	5500.0	2016	CHEMBL3886525
N[C@H]1CCC[C@@H](Nc2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3919783	=	0.044	2016	CHEMBL3886525
N[C@@H]1CCC[C@H](Nc2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4114921	=	0.077	2016	CHEMBL3886525
C#Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3972110	=	0.01	2016	CHEMBL3886525
C[C@]1(N)CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3971047	=	0.045	2016	CHEMBL3886525
NC(=O)[C@@H]1CCCN1c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1	CHEMBL3974232	=	3.9	2016	CHEMBL3886525
N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(N5CCNC(=O)C5)cc34)n2)C1	CHEMBL3967263	=	13.7	2016	CHEMBL3886525
O=C1CNCCN1c1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1	CHEMBL3937591	=	219.0	2016	CHEMBL3886525
C[C@@]1(N)CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4115669	=	0.11	2016	CHEMBL3886525
Fc1ccccc1-c1n[nH]c2cnc(-c3cncs3)cc12	CHEMBL3942966	=	26.8	2016	CHEMBL3886525
N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cncs5)cc34)n2)C1	CHEMBL3951717	=	0.035	2016	CHEMBL3886525
N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cncs5)cc34)n2)C1	CHEMBL4107038	=	0.036	2016	CHEMBL3886525
CN1CCN(c2cc3c(-c4ccccn4)n[nH]c3cn2)CC1=O	CHEMBL3891373	=	4800.0	2016	CHEMBL3886525
N[C@@H]1CCC[C@@H](Nc2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4112372	=	0.025	2016	CHEMBL3886525
N[C@H]1CCC[C@H](Nc2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3903896	=	0.397	2016	CHEMBL3886525
[O-][n+]1cc(C(F)(F)F)ccc1-c1n[nH]c2cnc(-c3cccnc3)cc12	CHEMBL3974781	=	97.9	2016	CHEMBL3886525
CN1C(=O)CN(c2cc3c(-c4ccccc4)n[nH]c3cn2)C1=O	CHEMBL3967318	=	809.0	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3634761	=	0.073	2016	CHEMBL3886525
OCCN1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1	CHEMBL3937665	=	0.26	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(-c4cncs4)cc23)nc(N2CCCCC2)c1	CHEMBL3975794	=	1.22	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(-c4cncs4)cc23)nc(N2CCNCC2)c1	CHEMBL3943032	=	0.074	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccnc(N5CCCCC5)n4)n[nH]c3cn2)cn1	CHEMBL3980649	=	0.366	2016	CHEMBL3886525
CCCCc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3919641	=	0.079	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(-n4ccnc4)cc23)nc(N2CCCCC2)c1	CHEMBL3895153	=	2.41	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccnc(N5CCC[C@@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL4106536	=	0.052	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccnc(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3904083	=	0.0941	2016	CHEMBL3886525
Cn1ccc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cc1=O	CHEMBL3907357	=	0.97	2016	CHEMBL3886525
Cc1ccc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3938860	=	0.217	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(-n4ccnc4)cc23)nc(N2CCNCC2)c1	CHEMBL3634773	=	1.82	2016	CHEMBL3886525
N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-n5ccnc5)cc34)n2)C1	CHEMBL4109201	=	1.13	2016	CHEMBL3886525
N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(N5CCOC5=O)cc34)n2)C1	CHEMBL4113078	=	180.0	2016	CHEMBL3886525
CN1C(=O)CN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)C1=O	CHEMBL3634776	=	31.1	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCN(C)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3956461	=	0.268	2016	CHEMBL3886525
O=C1OCCN1c1cc2c(-c3cccc(N4CCCCC4)n3)n[nH]c2cn1	CHEMBL3981863	=	483.0	2016	CHEMBL3886525
N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(N5CCOC5=O)cc34)n2)C1	CHEMBL3916333	=	85.0	2016	CHEMBL3886525
CCCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3944261	=	0.039	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3972871	=	0.009	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](NC)C5)n4)n[nH]c3cn2)cn1	CHEMBL3905269	=	0.08	2016	CHEMBL3886525
Fc1ccc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3957313	=	0.796	2016	CHEMBL3886525
CC(C)(CN)Cn1cc(-c2n[nH]c3cnc(-c4cccnc4)cc23)ccc1=O	CHEMBL3926312	=	1.29	2016	CHEMBL3886525
N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-n5ccnc5)cc34)n2)C1	CHEMBL3901903	=	0.523	2016	CHEMBL3886525
CC(C)Cn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3920836	=	0.057	2016	CHEMBL3886525
COCCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3973653	=	0.06	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCCC(C)(O)C5)n4)n[nH]c3cn2)cn1	CHEMBL3947566	=	0.078	2016	CHEMBL3886525
Cc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1	CHEMBL3634782	=	0.041	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5C[C@@H](N)C[C@@H](F)C5)n4)n[nH]c3cn2)cn1	CHEMBL4115661	=	0.131	2016	CHEMBL3886525
N[C@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2C(F)(F)F)C1	CHEMBL3935203	=	0.117	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CC(N6CCS(=O)(=O)CC6)C5)n4)n[nH]c3cn2)cn1	CHEMBL3893806	=	1.59	2016	CHEMBL3886525
CC(C)(O)Cn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3959285	=	0.138	2016	CHEMBL3886525
CC(C)n1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3918444	=	0.213	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(-c4cnn(C5CCC5)c4)cc23)nc(N2CCNCC2)c1	CHEMBL3891239	=	0.132	2016	CHEMBL3886525
FCCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3902415	=	0.108	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCC(N)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3927435	=	0.03	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCC[C@H](O)C5)n4)n[nH]c3cn2)cn1	CHEMBL3944848	=	0.333	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCC[C@@H](O)C5)n4)n[nH]c3cn2)cn1	CHEMBL4110400	=	0.316	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5C[C@@H]6CNC[C@@H]6C5)n4)n[nH]c3cn2)cn1	CHEMBL3950124	=	0.404	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCN[C@@H](C)C5)n4)n[nH]c3cn2)cn1	CHEMBL3925846	=	0.081	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCN[C@H](C)C5)n4)n[nH]c3cn2)cn1	CHEMBL4113217	=	0.046	2016	CHEMBL3886525
N#Cc1cc2c(-c3cccc(N4CCC[C@@H](N)C4)n3)n[nH]c2cn1	CHEMBL4114821	=	39.1	2016	CHEMBL3886525
N#Cc1cc2c(-c3cccc(N4CCC[C@H](N)C4)n3)n[nH]c2cn1	CHEMBL3890025	=	22.6	2016	CHEMBL3886525
N#Cc1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1	CHEMBL3959060	=	51.1	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(N4CCOCC4)cc23)nc(N2CCNCC2)c1	CHEMBL3634765	=	3.29	2016	CHEMBL3886525
CN1CCN(c2nc(-c3n[nH]c4cnc(-c5cnn(C)c5)cc34)ccc2Br)CC1	CHEMBL3898949	=	0.07	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3973525	=	0.04	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3974500	=	0.09	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CC(N6CCNC(=O)C6)C5)n4)n[nH]c3cn2)cn1	CHEMBL3945080	=	0.527	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCN(CCS(C)(=O)=O)C(C)(C)C5)n4)n[nH]c3cn2)cn1	CHEMBL3982513	=	0.259	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3895582	=	0.02	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNC[C@H](O)C5)n4)n[nH]c3cn2)cn1	CHEMBL3954635	=	0.039	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNC[C@@H](O)C5)n4)n[nH]c3cn2)cn1	CHEMBL4115489	=	0.014	2016	CHEMBL3886525
C=Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3942480	=	0.036	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CC(N2CCS(=O)(=O)CC2)C1	CHEMBL3893478	=	1.02	2016	CHEMBL3886525
C=C(C)c1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3933509	=	0.028	2016	CHEMBL3886525
O=C1OCCN1c1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1	CHEMBL3929377	=	104.0	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(-c4cnn(CC5COC5)c4)cc23)nc(N2CCNCC2)c1	CHEMBL3928058	=	11.3	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCNCC1	CHEMBL3955675	=	0.051	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@@H](O)C1	CHEMBL4110181	=	0.11	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCOCC1	CHEMBL3921569	=	0.16	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)cn1	CHEMBL3898418	=	0.368	2016	CHEMBL3886525
FC1(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCNCC1	CHEMBL3898951	=	0.105	2016	CHEMBL3886525
OC1(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCNCC1	CHEMBL3942159	=	300.07	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@](C)(O)C5)n4)n[nH]c3cn2)cn1	CHEMBL3909491	=	0.128	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@](C)(O)C5)n4)n[nH]c3cn2)cn1	CHEMBL4107869	=	0.073	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CC(N2CCNC(=O)C2)C1	CHEMBL3976240	=	0.618	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CC(N2CCNC(=O)C2)C1	CHEMBL3900068	=	0.46	2016	CHEMBL3886525
C=C(C)c1ccc(-c2n[nH]c3cnc(-c4cnn(CC)c4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3971218	=	0.016	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCN(CCS(C)(=O)=O)C(C)(C)C1	CHEMBL3889946	=	0.112	2016	CHEMBL3886525
CCc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3962485	=	0.022	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(C)c(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3918555	=	0.027	2016	CHEMBL3886525
C=Cc1ccc(-c2n[nH]c3cnc(-c4cnn(CC)c4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3890600	=	0.023	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(C)c(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3967325	=	0.055	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3634760	=	0.013	2016	CHEMBL3886525
OC1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCC1F	CHEMBL3975801	=	0.089	2016	CHEMBL3886525
COc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1	CHEMBL3905023	=	0.021	2016	CHEMBL3886525
CNc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1	CHEMBL3889536	=	0.409	2016	CHEMBL3886525
CCc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1	CHEMBL3914022	=	0.004	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccnc(C5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3898497	=	0.571	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCN(C)CC1	CHEMBL3926542	=	0.029	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCC[C@H](O)C1	CHEMBL3919155	=	0.062	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](O)C5)n4)n[nH]c3cn2)cn1	CHEMBL3920719	=	0.154	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(C)c(N5CCC[C@@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL4112327	=	0.1	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5C[C@H](C)N[C@H](C)C5)n4)n[nH]c3cn2)cn1	CHEMBL3956027	=	0.07	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3923994	=	0.031	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNC(C)(C)C5)n4)n[nH]c3cn2)cn1	CHEMBL3895992	=	0.029	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNCC(F)(F)C5)n4)n[nH]c3cn2)cn1	CHEMBL3932937	=	0.029	2016	CHEMBL3886525
CC(C)(C)n1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3908523	=	0.376	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCOCC5)n4)n[nH]c3cn2)cn1	CHEMBL3893377	=	0.191	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)cn1	CHEMBL3915064	=	0.581	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](O)C5)n4)n[nH]c3cn2)cn1	CHEMBL4111759	=	0.106	2016	CHEMBL3886525
NC1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCC1F	CHEMBL3980904	=	0.046	2016	CHEMBL3886525
NC1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCC1F	CHEMBL3980904	=	0.296	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(Br)c(N5C[C@@H](N)C[C@@H](F)C5)n4)n[nH]c3cn2)cn1	CHEMBL4111907	=	0.026	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(Br)c(N5C[C@H](N)C[C@@H](F)C5)n4)n[nH]c3cn2)cn1	CHEMBL4114499	=	0.028	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccc(Br)c(N5C[C@@H](N)C[C@@H](F)C5)n4)n[nH]c3cn2)cn1	CHEMBL4107502	=	0.03	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cc(C)cc(N5CCCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3957328	=	0.049	2016	CHEMBL3886525
N[C@@H]1CCCC(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL4111381	=	0.03	2016	CHEMBL3886525
N[C@H]1CCCC(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1	CHEMBL3982705	=	0.045	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@](C)(O)C5)n4)n[nH]c3cn2)cn1	CHEMBL4115144	=	0.265	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(NC5CCCC(N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3909163	=	0.0593	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCC(F)C(N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3985979	=	0.55	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNC(CO)C5)n4)n[nH]c3cn2)cn1	CHEMBL3965567	=	0.084	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@](C)(O)C5)n4)n[nH]c3cn2)cn1	CHEMBL3925349	=	0.0721	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCC(F)C(N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3985979	=	0.063	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4nc(N5CCC[C@H](N)C5)ccc4Cl)n[nH]c3cn2)cn1	CHEMBL3930783	=	0.389	2016	CHEMBL3886525
FC(F)(F)c1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1	CHEMBL3915245	=	0.093	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNC(C(F)(F)F)C5)n4)n[nH]c3cn2)cn1	CHEMBL3939792	=	0.06	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cc(C(F)(F)F)ccn4)n[nH]c3cn2)cn1	CHEMBL3921929	=	65.6	2016	CHEMBL3886525
CS(=O)(=O)c1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1	CHEMBL3949702	=	0.049	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)CC5)n4)n[nH]c3cn2)cn1	CHEMBL4113286	=	0.073	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCN(C(C)=O)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3900358	=	0.107	2016	CHEMBL3886525
N#CCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3634771	=	0.022	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(=O)n(CC5(C(N)=O)CC5)c4)n[nH]c3cn2)cn1	CHEMBL3915842	=	1.41	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(=O)n(CC5(C(N)=O)CCC5)c4)n[nH]c3cn2)cn1	CHEMBL4108317	=	4.49	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cc(OC)ccn4)n[nH]c3cn2)cn1	CHEMBL3910463	=	15.7	2016	CHEMBL3886525
CCc1ccc(-c2n[nH]c3cnc(-c4cnn(CC)c4)cc23)nc1N1CCC[C@H](N)C1	CHEMBL3949620	=	0.013	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(C(C)C)c(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3972403	=	0.02	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cncc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3942799	=	0.064	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCN(C6COC6)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3957858	=	0.311	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3924841	=	0.034	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](NC)C5)n4)n[nH]c3cn2)cn1	CHEMBL4110096	=	0.147	2016	CHEMBL3886525
CC(O)c1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1	CHEMBL3948781	=	0.027	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cc(C5CC5)ccn4)n[nH]c3cn2)cn1	CHEMBL3912031	=	11.5	2016	CHEMBL3886525
N[C@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2C2CC2)C1	CHEMBL3940007	=	0.022	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4ccc(C5CC5)c(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3903009	=	0.009	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(-c4cnn(C5CC5)c4)cc23)nc(N2CCNCC2)c1	CHEMBL3934472	=	0.106	2016	CHEMBL3886525
FC(F)(F)Cn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3897509	=	0.022	2016	CHEMBL3886525
FCCn1cc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3925594	=	0.014	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cc(C#N)cc(N5CCCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3890885	=	0.107	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNC(C(F)(F)F)CC5)n4)n[nH]c3cn2)cn1	CHEMBL3915381	=	0.181	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cc(C)ccn4)n[nH]c3cn2)cn1	CHEMBL3925070	=	23.2	2016	CHEMBL3886525
CCc1ccnc(-c2n[nH]c3cnc(-c4cnn(CC)c4)cc23)c1	CHEMBL3897020	=	43.6	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCCCC(O)C5)n4)n[nH]c3cn2)cn1	CHEMBL3933966	=	0.122	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5C[C@@H](N)C[C@@H](F)C5)n4)n[nH]c3cn2)cn1	CHEMBL4114898	=	0.122	2016	CHEMBL3886525
OCCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1	CHEMBL3910663	=	0.13	2016	CHEMBL3886525
c1cc(-c2n[nH]c3cnc(-c4cnn(CC5CC5)c4)cc23)nc(N2CCNCC2)c1	CHEMBL3634772	=	0.021	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cc(CO)ccn4)n[nH]c3cn2)cn1	CHEMBL3980748	=	17.2	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNCC(C#N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3919615	=	0.072	2016	CHEMBL3886525
C=C(C)c1ccnc(-c2n[nH]c3cnc(-c4cnn(CC)c4)cc23)c1	CHEMBL3985827	=	54.1	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCCC[C@H](O)C5)n4)n[nH]c3cn2)cn1	CHEMBL3891459	=	0.103	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCCC[C@@H](O)C5)n4)n[nH]c3cn2)cn1	CHEMBL4113346	=	0.139	2016	CHEMBL3886525
C[C@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cnn(CCF)c5)cc34)n2)CCN1	CHEMBL3908352	=	0.0294	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNCC(F)C5)n4)n[nH]c3cn2)cn1	CHEMBL3915485	=	0.076	2016	CHEMBL3886525
Cc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)n1	CHEMBL3634783	=	0.01	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(C5CC5)c(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3899964	=	0.021	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cc(C(C)C)ccn4)n[nH]c3cn2)cn1	CHEMBL3924479	=	29.8	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccccn4)n[nH]c3cn2)cn1	CHEMBL3972194	=	10.6	2016	CHEMBL3886525
Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1C[C@@H](N)C[C@@H](F)C1	CHEMBL4112298	=	0.056	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4ccc(C)c(N5C[C@@H](N)C[C@@H](F)C5)n4)n[nH]c3cn2)cn1	CHEMBL4115239	=	0.03	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNCC(CO)C5)n4)n[nH]c3cn2)cn1	CHEMBL3910119	=	0.016	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCNCC(CO)C5)n4)n[nH]c3cn2)cn1	CHEMBL3910119	=	0.04	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(NC5CCCCNC5)n4)n[nH]c3cn2)cn1	CHEMBL3948867	=	0.055	2016	CHEMBL3886525
NC1CCCCN(c2cccc(-c3n[nH]c4cnc(-c5cnn(CCF)c5)cc34)n2)C1	CHEMBL3902878	=	0.077	2016	CHEMBL3886525
CCn1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1=O	CHEMBL3634769	=	0.015	2016	CHEMBL3886525
CC1CN(c2cccc(-c3n[nH]c4cnc(-c5cnn(CCF)c5)cc34)n2)CCN1	CHEMBL3970485	=	0.024	2016	CHEMBL3886525
Cn1cc(-c2cc3c(-c4cccc(N5C[C@H](N)C[C@@H](F)C5)n4)n[nH]c3cn2)cn1	CHEMBL4108390	=	1.17	2016	CHEMBL3886525
CCn1cc(-c2cc3c(-c4cccc(N5CCCCC(N)C5)n4)n[nH]c3cn2)cn1	CHEMBL3962879	=	0.082	2016	CHEMBL3886525
N[C@H]1CCCCN(c2cccc(-c3n[nH]c4cnc(-c5cnn(CCF)c5)cc34)n2)C1	CHEMBL3892821	=	0.025	2016	CHEMBL3886525
N[C@@H]1CCCCN(c2cccc(-c3n[nH]c4cnc(-c5cnn(CCF)c5)cc34)n2)C1	CHEMBL4113718	=	0.098	2016	CHEMBL3886525
C[C@@H]1CN(c2cccc(-c3n[nH]c4cnc(-c5cnn(CCF)c5)cc34)n2)CCN1	CHEMBL4107084	=	0.026	2016	CHEMBL3886525
Cc1cncc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)n1	CHEMBL3978766	=	0.019	2016	CHEMBL3886525
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)cn1	CHEMBL3892536	=	0.623	2016	CHEMBL3886942
CC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)c1	CHEMBL3975764	=	0.032	2016	CHEMBL3886942
CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)c1	CHEMBL3901481	=	0.119	2016	CHEMBL3886942
CC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)c1	CHEMBL3947484	=	0.124	2016	CHEMBL3886942
CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC(O)C3)n2)c1	CHEMBL3976760	=	0.104	2016	CHEMBL3886942
CC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@@H](N)C3)n2)c1	CHEMBL4110326	=	0.13	2016	CHEMBL3886942
CC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)c1	CHEMBL3952845	=	0.1	2016	CHEMBL3886942
c1cc(N2CCNCC2)nc(-n2ncc3cnc(-c4cncs4)cc32)c1	CHEMBL3953990	=	0.476	2016	CHEMBL3886942
N[C@@H]1CCCN(c2cccc(-n3ncc4cnc(-c5cncs5)cc43)n2)C1	CHEMBL4106584	=	0.504	2016	CHEMBL3886942
c1cc(N2CCNCC2)nc(-n2ncc3cnc(-c4cncc(C5CC5)c4)cc32)c1	CHEMBL3980040	=	0.165	2016	CHEMBL3886942
c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cncc(C5CC5)c4)cc32)c1	CHEMBL3951088	=	0.038	2016	CHEMBL3886942
C[C@H]1CN(c2cccc(-n3ncc4cnc(-c5cncc(C6COC6)c5)cc43)n2)CCN1	CHEMBL3890745	=	0.107	2016	CHEMBL3886942
c1cc(N2CCNCC2)nc(-n2ncc3cnc(-c4cncc(C5COC5)c4)cc32)c1	CHEMBL3965741	=	0.479	2016	CHEMBL3886942
OC1CNCCN(c2cccc(-n3ncc4cnc(-c5cncc(C6CC6)c5)cc43)n2)C1	CHEMBL3936808	=	0.155	2016	CHEMBL3886942
OC1CNCCN(c2cccc(-n3ncc4cnc(-c5cncc(C6COC6)c5)cc43)n2)C1	CHEMBL3908853	=	0.294	2016	CHEMBL3886942
CCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(Cl)c(N3CCC[C@H](N)C3)n2)c1	CHEMBL3908350	=	0.141	2016	CHEMBL3886942
c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cncc(C5COC5)c4)cc32)c1	CHEMBL3939101	=	0.08	2016	CHEMBL3886942
Cc1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)sn1	CHEMBL3915323	=	0.426	2016	CHEMBL3886942
Cc1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)sn1	CHEMBL3985111	=	0.225	2016	CHEMBL3886942
CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC[C@H](O)C3)n2)c1	CHEMBL3956155	=	0.16	2016	CHEMBL3886942
CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC[C@@H](O)C3)n2)c1	CHEMBL4111637	=	0.056	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3944062	=	0.095	2016	CHEMBL3886942
Cc1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)sn1	CHEMBL3973544	=	0.71	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3907004	=	0.29	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCN[C@@H](C)C3)n2)cn1	CHEMBL3968206	=	0.349	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@H](O)C3)n2)cn1	CHEMBL3901533	=	3.04	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@@H](O)C3)n2)cn1	CHEMBL4106807	=	7.22	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC(O)CC3)n2)cn1	CHEMBL3892590	=	3.47	2016	CHEMBL3886942
COc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3917077	=	0.113	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC(C)(C)C3)n2)cn1	CHEMBL3938583	=	0.58	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC(N)CC3)n2)cn1	CHEMBL3968140	=	1.56	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)cn1	CHEMBL3963946	=	0.867	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@@H](N)C3)n2)cn1	CHEMBL4115315	=	0.951	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@H](N)C3)n2)cn1	CHEMBL3924152	=	2.12	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@@H](N)C3)n2)cn1	CHEMBL4110731	=	2.05	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)n1	CHEMBL3935096	=	0.159	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)n1	CHEMBL3960554	=	0.0204	2016	CHEMBL3886942
CCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C3CC3)c(N3CCC[C@H](N)C3)n2)c1	CHEMBL3930816	=	0.033	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCC(N)CC3)n2)cn1	CHEMBL3958302	=	1.04	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)c1	CHEMBL3939394	=	0.085	2016	CHEMBL3886942
CC[C@@H]1CN(c2cccc(-n3ncc4cnc(-c5cnn(CC)c5)cc43)n2)CCN1	CHEMBL4110363	=	0.802	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(NC3CCCCNC3)n2)cn1	CHEMBL3930402	=	2.46	2016	CHEMBL3886942
c1cc(N2CCNCC2)nc(-n2ncc3cnc(-c4cnccn4)cc32)c1	CHEMBL3902417	=	0.177	2016	CHEMBL3886942
CC(C)(C)n1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3953482	=	0.362	2016	CHEMBL3886942
CC(C)n1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3929264	=	0.532	2016	CHEMBL3886942
c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cnn(C5CCC5)c4)cc32)c1	CHEMBL3944757	=	0.213	2016	CHEMBL3886942
Cn1ncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cc1=O	CHEMBL3916844	=	128.0	2016	CHEMBL3886942
CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3946970	=	0.058	2016	CHEMBL3886942
CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)n1	CHEMBL3943705	=	0.021	2016	CHEMBL3886942
CCn1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)c1=O	CHEMBL3947770	=	0.181	2016	CHEMBL3886942
OCCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3980111	=	0.215	2016	CHEMBL3886942
FCCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3942446	=	0.095	2016	CHEMBL3886942
FC(F)(F)Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3972050	=	0.081	2016	CHEMBL3886942
N#CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3970981	=	0.144	2016	CHEMBL3886942
CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)n1	CHEMBL3896312	=	0.047	2016	CHEMBL3886942
CS(=O)(=O)CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3956440	=	0.087	2016	CHEMBL3886942
c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cnn(CC5COC5)c4)cc32)c1	CHEMBL3985113	=	287.0	2016	CHEMBL3886942
NC(=O)Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3940227	=	0.283	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3=CCNCC3)n2)n1	CHEMBL3973175	=	1.17	2016	CHEMBL3886942
c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cnn(CC5CC5)c4)cc32)c1	CHEMBL3944819	=	1.86	2016	CHEMBL3886942
FC(F)Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3916902	=	0.416	2016	CHEMBL3886942
CCn1cc(-c2cc3c(cn2)cnn3-c2cncc(N3CCCNCC3)n2)cn1	CHEMBL3953538	=	1.63	2016	CHEMBL3886942
Cc1cnc(O)c(-c2cc3c(cn2)cnn3-c2cncc(N3CCCNCC3)n2)c1	CHEMBL3922364	=	50.2	2016	CHEMBL3886942
c1cc(N2CCNCC2)nc(-n2ncc3cnc(-c4cncc(C5CC5)n4)cc32)c1	CHEMBL3958785	=	0.063	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CCNCC3)n2)n1	CHEMBL3931279	=	0.517	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@H](N)C3)n2)n1	CHEMBL3943759	=	0.773	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@@H](N)C3)n2)n1	CHEMBL4111423	=	0.977	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC(C)C3)n2)n1	CHEMBL3937096	=	0.228	2016	CHEMBL3886942
CC(C)(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3909176	=	20.5	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(N)CCC3C)n2)n1	CHEMBL3976267	=	0.032	2016	CHEMBL3886942
CCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC(O)C3)n2)n1	CHEMBL3905519	=	0.034	2016	CHEMBL3886942
FC(F)n1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3981104	=	1.21	2016	CHEMBL3886942
c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cnn(C5CC5)c4)cc32)c1	CHEMBL3984183	=	0.069	2016	CHEMBL3886942
c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cncnc4)cc32)c1	CHEMBL3960858	=	11.3	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(Cl)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3891851	=	0.073	2016	CHEMBL3886942
N#Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3975199	=	1.04	2016	CHEMBL3886942
FC(F)(F)Cn1cc(-c2cc3c(cn2)cnn3-c2cncc(N3CCCNCC3)n2)cn1	CHEMBL3900834	=	0.386	2016	CHEMBL3886942
FC(F)(F)Cn1cc(-c2cc3c(cn2)cnn3-c2ccnc(N3CCCNCC3)n2)cn1	CHEMBL3939262	=	0.402	2016	CHEMBL3886942
c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cn[nH]c4)cc32)c1	CHEMBL3968789	=	0.122	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C3CC3)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3932475	=	0.014	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(N)CCC3C)n2)n1	CHEMBL3976267	=	0.028	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(N)CCC3C)n2)n1	CHEMBL3976267	=	0.03	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC(C)CC3)n2)n1	CHEMBL3895531	=	0.164	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC(C)C3)n2)n1	CHEMBL3937096	=	0.06	2016	CHEMBL3886942
COc1ccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCC[C@H](N)C1	CHEMBL3914639	=	0.0212	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCCC(N)C3)n2)n1	CHEMBL3937209	=	0.07	2016	CHEMBL3886942
O[C@@H]1CNCCN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1	CHEMBL4113332	=	0.173	2016	CHEMBL3886942
O[C@H]1CNCCN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1	CHEMBL3909280	=	0.038	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(NC3CCNCC3)n2)n1	CHEMBL3900258	=	0.06	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC[C@H]3C)n2)n1	CHEMBL4112816	=	0.156	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3C[C@@H](N)C[C@H](F)C3)n2)n1	CHEMBL3975198	=	0.428	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC(C)C3)n2)n1	CHEMBL3937096	=	0.046	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC(N)CC3)n2)n1	CHEMBL3966696	=	0.243	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCC(N)C3C)n2)n1	CHEMBL3927952	=	0.065	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNC[C@@H]3C)n2)n1	CHEMBL3949274	=	0.072	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C3CC3)c(N3CCCNCC3)n2)n1	CHEMBL3922549	=	0.055	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3C[C@@H](N)C[C@@H](F)C3)n2)n1	CHEMBL4113302	=	0.117	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC4(CCNCC4)C3)n2)n1	CHEMBL3956717	=	0.716	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC4(CCNC4)CC3)n2)n1	CHEMBL3982105	=	1.21	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C#N)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3898989	=	0.068	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3C[C@@H](N)CCC3=O)n2)n1	CHEMBL3970183	=	56.4	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCC(N)C3C)n2)n1	CHEMBL3927952	=	0.375	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCC(N)C3C)n2)n1	CHEMBL3927952	=	0.034	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3982539	=	0.018	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCCC3=O)n2)n1	CHEMBL3953849	=	3.74	2016	CHEMBL3886942
COc1ccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCNCC(O)C1	CHEMBL3893598	=	0.182	2016	CHEMBL3886942
Cc1nc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cnc1N	CHEMBL3959091	=	0.012	2016	CHEMBL3886942
Cc1nc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)cnc1N	CHEMBL3906798	=	0.045	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CCCC(N)C3)n2)n1	CHEMBL3929011	=	0.609	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CCCC(N)C3)n2)n1	CHEMBL3929011	=	0.086	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CCCC(N)C3)n2)n1	CHEMBL3929011	=	0.483	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CCCC(N)C3)n2)n1	CHEMBL3929011	=	0.048	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC4(CNC4)C3)n2)n1	CHEMBL3907320	=	0.385	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(F)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3953164	=	0.048	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC4(CCCN4)CC3)n2)n1	CHEMBL3981915	=	0.223	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC4(CCNC4)C3)n2)n1	CHEMBL3958435	=	1.17	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(CO)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3892885	=	0.06	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C(F)(F)F)c(N3CCNCC(O)C3)n2)n1	CHEMBL3934315	=	0.433	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C(F)(F)F)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3961823	=	0.034	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C)c(N3C[C@@H](N)CCC3=O)n2)n1	CHEMBL3957118	=	26.2	2016	CHEMBL3886942
COc1ncc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCC[C@H](N)C1	CHEMBL3897912	=	0.125	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cnc(O)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3920503	=	2.37	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1	CHEMBL3892509	=	0.154	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3=O)n2)n1	CHEMBL3952360	=	0.817	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cnc(Cl)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3947370	=	1.65	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C(F)F)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3940744	=	0.036	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cnc(C)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3935018	=	0.074	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC(O)C3)n2)cn1	CHEMBL3937034	=	0.316	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(C3(O)CCCNCC3)n2)cn1	CHEMBL3959083	=	5.05	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC(O)C3)n2)cn1	CHEMBL3937034	=	0.078	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(O)C(O)C3)n2)n1	CHEMBL3934298	=	1.19	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cc(N3CCC[C@H](N)C3)c(=O)n(C)c2)n1	CHEMBL3897351	=	528.0	2016	CHEMBL3886942
COc1ccc(-n2ncc3cnc(-c4cnn(CC(F)(F)F)c4)cc32)nc1N1CCNC[C@@H](O)C1	CHEMBL4115539	=	0.107	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(C3CCCNCC3)n2)cn1	CHEMBL3986159	=	1.55	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(C3(F)CCCNCC3)n2)cn1	CHEMBL3975787	=	0.715	2016	CHEMBL3886942
COc1ccc(-n2ncc3cnc(-c4cnn(CC(F)(F)F)c4)cc32)nc1N1CCNCC(O)C1	CHEMBL3981028	=	0.31	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cnc(C3CC3)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3920778	=	0.026	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCN(C4COC4)CC3)n2)n1	CHEMBL3900796	=	1.51	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cn(C)c(=O)c(N3CCC[C@H](N)C3)n2)n1	CHEMBL3969289	=	3.53	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cn(C)c(=O)c(N3CCC[C@H](N)C3)n2)cn1	CHEMBL3939742	=	128.0	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cn(C)c(=O)c(N3CCC[C@@H](N)C3)n2)cn1	CHEMBL4110528	=	57.1	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C)c(N3CCC[C@H](N)C3=O)n2)n1	CHEMBL3952989	=	5.61	2016	CHEMBL3886942
Nc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)n1	CHEMBL3961692	=	0.023	2016	CHEMBL3886942
C[C@]1(O)CNCCN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1	CHEMBL3930725	=	1.64	2016	CHEMBL3886942
C[C@@]1(O)CNCCN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1	CHEMBL4109970	=	2.16	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cc(C3COC3)cc(N3CCC[C@H](N)C3)n2)n1	CHEMBL3906127	=	3.89	2016	CHEMBL3886942
COc1ccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCCNC1=O	CHEMBL3961287	=	48.8	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNC3=O)n2)n1	CHEMBL3892308	=	5.67	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(O)C3)n2)cn1	CHEMBL3968874	=	2.52	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cn(C)c(=O)c(N3CCNCC(O)C3)n2)cn1	CHEMBL3929332	=	30.6	2016	CHEMBL3886942
OC1CN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1	CHEMBL3906850	=	0.876	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(CN)C3)n2)cn1	CHEMBL3913945	=	5.58	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(N)C3)n2)cn1	CHEMBL3919378	=	0.784	2016	CHEMBL3886942
NC1CN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1	CHEMBL3943778	=	0.514	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CNCCC3(F)F)n2)n1	CHEMBL3926007	=	0.053	2016	CHEMBL3886942
Cc1ccc(-n2ncc3cnc(-c4cnn(CC(F)(F)F)c4)cc32)nc1N1CCNC[C@@H](O)C1	CHEMBL4109699	=	0.047	2016	CHEMBL3886942
CO[C@@]1(C)CNCCN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1	CHEMBL3950820	=	0.763	2016	CHEMBL3886942
NCC1CN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1	CHEMBL3926614	=	1.23	2016	CHEMBL3886942
Cc1ccc(-n2ncc3cnc(-c4cnn(CC(F)(F)F)c4)cc32)nc1N1CCNC[C@H](O)C1	CHEMBL3942104	=	0.253	2016	CHEMBL3886942
COC1(C)CNCCN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1	CHEMBL3914110	=	2.94	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CNCCC3O)n2)n1	CHEMBL3895094	=	0.941	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC4(CCCCN4)C3)n2)cn1	CHEMBL3975766	=	1.1	2016	CHEMBL3886942
FC(F)(F)Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC4(CNC4)C3)n2)cn1	CHEMBL3899519	=	3.81	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC4(CNC4)C3)n2)cn1	CHEMBL3970681	=	11.5	2016	CHEMBL3886942
FC(F)(F)Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC4(CCCCN4)C3)n2)cn1	CHEMBL3984839	=	15.7	2016	CHEMBL3886942
Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(O)(CN)C3)n2)cn1	CHEMBL3959634	=	1.08	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CNCCC3(F)F)n2)n1	CHEMBL3926007	=	0.189	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CNCCC3(F)F)n2)n1	CHEMBL3926007	=	0.067	2016	CHEMBL3886942
OCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3919520	=	0.117	2016	CHEMBL3886942
C=Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3947309	=	0.133	2016	CHEMBL3886942
Clc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3946306	=	0.725	2016	CHEMBL3886942
c1ccc(COc2cncc(-c3cc4c(cn3)cnn4-c3cccc(N4CCNCC4)n3)n2)cc1	CHEMBL3972453	=	0.494	2016	CHEMBL3886942
OCC(O)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3933868	=	0.224	2016	CHEMBL3886942
OCCOc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3961360	=	0.163	2016	CHEMBL3886942
FC(F)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3957997	=	0.229	2016	CHEMBL3886942
OC[C@@H]1CCCN1c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3907493	=	0.051	2016	CHEMBL3886942
OC1CN(c2cncc(-c3cc4c(cn3)cnn4-c3cccc(N4CCNCC4)n3)n2)C1	CHEMBL3975756	=	0.048	2016	CHEMBL3886942
OCCNc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3946464	=	0.026	2016	CHEMBL3886942
O[C@H]1CCC[C@@H]1Nc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3983795	=	0.148	2016	CHEMBL3886942
c1cc(N2CCNCC2)nc(-n2ncc3cnc(-c4cncc(N5CCC5)n4)cc32)c1	CHEMBL3951741	=	0.02	2016	CHEMBL3886942
CCNc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3891387	=	0.044	2016	CHEMBL3886942
NCCOc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3960453	=	0.105	2016	CHEMBL3886942
O=c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)[nH]1	CHEMBL3900423	=	0.698	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3(O)CCCNC3)n2)n1	CHEMBL3974800	=	0.918	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(=O)n([C@H]3CCCNC3)n2)n1	CHEMBL3918384	=	31.3	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(=O)n([C@H]3CCCNC3)n2)n1	CHEMBL3918384	=	16.3	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCC4(CN(C=O)C4)C3)n2)n1	CHEMBL3972017	=	4.41	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc3c(n2)CC(CN)CO3)n1	CHEMBL3900881	=	1.6	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCC4(CNC4)C3)n2)n1	CHEMBL3983224	=	0.061	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3(F)CCCNC3)n2)n1	CHEMBL3909947	=	0.514	2016	CHEMBL3886942
COC1(c2cccc(-n3ncc4cnc(-c5cncc(C)n5)cc43)n2)CCCNC1	CHEMBL3955604	=	0.256	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N(C)C)n2)n1	CHEMBL3984232	=	0.727	2016	CHEMBL3886942
CNc1cccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)n1	CHEMBL3931274	=	0.43	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@@H](O)C3)n2)n1	CHEMBL4107092	=	0.854	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](O)C3)n2)n1	CHEMBL3906421	=	0.419	2016	CHEMBL3886942
OCC#Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3934383	=	0.089	2016	CHEMBL3886942
OCCCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3910536	=	0.034	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C(=O)N3CCC[C@H](N)C3)n2)n1	CHEMBL3951387	=	10.3	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C(=O)N3CCC[C@@H](N)C3)n2)n1	CHEMBL4109117	=	11.8	2016	CHEMBL3886942
N[C@H]1CCC[C@@H]1Oc1cncc(-c2cc3c(cn2)cnn3-c2ccccn2)n1	CHEMBL3963170	=	0.094	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(OC3CCCC(N)C3)n2)n1	CHEMBL3924903	=	0.094	2016	CHEMBL3886942
FC1CCNCC1c1cccc(-n2ncc3cnc(-c4cnn(CC(F)(F)F)c4)cc32)n1	CHEMBL3900425	=	0.04	2016	CHEMBL3886942
N[C@H]1CCC[C@@H]1Nc1cncc(-c2cc3c(cn2)cnn3-c2ccccn2)n1	CHEMBL3915913	=	0.12	2016	CHEMBL3886942
c1ccc(-n2ncc3cnc(-c4cncc(NC5CNC5)n4)cc32)nc1	CHEMBL3985665	=	0.279	2016	CHEMBL3886942
Cn1ncc(-c2cc3c(cn2)cnn3-c2ccccc2F)c1Cl	CHEMBL3945513	=	487.0	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(OC3CCCC(N)C3)n2)n1	CHEMBL3924903	=	1.64	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(OC3CCCC(N)C3)n2)n1	CHEMBL3924903	=	0.069	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC(O)C(O)C3)n2)n1	CHEMBL3965243	=	0.644	2016	CHEMBL3886942
Cc1cncc(-c2cc3c(cnn3-c3cccc(N4CCNCC4)n3)nn2)n1	CHEMBL3970953	=	0.073	2016	CHEMBL3886942
Cn1ncc(-c2cc3c(cn2)cnn3-c2ccccc2F)c1C1=CCNCC1	CHEMBL3926146	=	130.0	2016	CHEMBL3886942
C#Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3890953	=	0.136	2016	CHEMBL3886942
Cn1ncc(-c2cc3c(cn2)cnn3-c2ccccc2F)c1N1CCC(N)CC1	CHEMBL3894381	=	15.5	2016	CHEMBL3886942
CC#Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1	CHEMBL3983351	=	0.068	2016	CHEMBL3886942