smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)[C@H]2CC(=O)[N-]/C(=N\N=C(\C)c3ccc(F)cc3)S2)cc1	ZINC000033666515	524611471	/nfs/dbraw/zinc/61/14/71/524611471.db2.gz	IQPRYPQVZGUFGR-SAMUYDCASA-N	-1	3	414.462	3.175	10	30		HGEEHM
CC(C)(C)NC(=O)CSc1nnc(NN=Cc2cccc(Br)c2)[n-]1	ZINC000005901140	557679954	/nfs/dbraw/zinc/67/99/54/557679954.db2.gz	CQRNYAIWJLXGCJ-CAOOACKPSA-N	-1	3	411.329	3.020	10	30		HGEEHM
CC(C)(C)NC(=O)CSc1nnc([N-][NH+]=Cc2cccc(Br)c2)[n-]1	ZINC000005901140	557679958	/nfs/dbraw/zinc/67/99/58/557679958.db2.gz	CQRNYAIWJLXGCJ-CAOOACKPSA-N	-1	3	411.329	3.020	10	30		HGEEHM
CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccccc2O)[n-]1	ZINC000006048642	557685461	/nfs/dbraw/zinc/68/54/61/557685461.db2.gz	NYUZQNFGTBAEIW-RGVLZGJSSA-N	-1	3	412.475	3.086	10	30		HGEEHM
CCOc1ccc(C=[NH+][N-]c2nnc(SCCC(=O)Nc3ccccn3)[n-]2)cc1	ZINC000020176199	558343880	/nfs/dbraw/zinc/34/38/80/558343880.db2.gz	PTEIWFDJWHDKOM-FYJGNVAPSA-N	-1	3	411.491	3.165	10	30		HGEEHM
CCOc1ccc(C=NNc2nnc(SCCC(=O)Nc3ccccn3)[n-]2)cc1	ZINC000020176199	558343883	/nfs/dbraw/zinc/34/38/83/558343883.db2.gz	PTEIWFDJWHDKOM-FYJGNVAPSA-N	-1	3	411.491	3.165	10	30		HGEEHM
C=CCN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]1)C[C@H](C)O	ZINC000036207749	518801532	/nfs/dbraw/zinc/80/15/32/518801532.db2.gz	ZJMPGCDNLKYDBS-ZDUSSCGKSA-N	-1	3	415.515	3.038	10	30		HGEEHM
CCOC(=O)c1c2c(sc1NC(=O)CO/N=C/c1ccccc1[O-])CCCC2	ZINC000004599594	560607864	/nfs/dbraw/zinc/60/78/64/560607864.db2.gz	RTNOATMAHNAEMG-SRZZPIQSSA-N	-1	3	402.472	3.498	10	30		HGEEHM
C=CCC[C@@H](O)CN(CC)Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[n-]1	ZINC000036207424	518713194	/nfs/dbraw/zinc/71/31/94/518713194.db2.gz	OBPVZNQVEAGOBC-CQSZACIVSA-N	-1	3	407.536	3.007	10	30		HGEEHM
O=C1c2cccc3cc([O-])cc(c32)C(=O)N1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000048524134	569358299	/nfs/dbraw/zinc/35/82/99/569358299.db2.gz	NDIOMWORECCMDF-UHFFFAOYSA-N	-1	3	403.799	3.115	10	30		HGEEHM
COc1ccc(NC(=O)[C@@H]2CC(=O)[N-]/C(=N\N=C(\C)c3ccc(F)cc3)S2)cc1	ZINC000033666517	524592126	/nfs/dbraw/zinc/59/21/26/524592126.db2.gz	IQPRYPQVZGUFGR-VJUVOTIISA-N	-1	3	414.462	3.175	10	30		HGEEHM
C=C(C)[C@H]1Cc2c(cc([O-])c3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1	ZINC000003979083	291231093	/nfs/dbraw/zinc/23/10/93/291231093.db2.gz	ZPEHYKMRUBEPSQ-XMCHAPAWSA-N	-1	3	410.422	3.409	10	30	biogenic,in-vitro	HGEEHM
C=CCC[C@H](O)CN(CC)Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[n-]1	ZINC000036207425	518723092	/nfs/dbraw/zinc/72/30/92/518723092.db2.gz	OBPVZNQVEAGOBC-AWEZNQCLSA-N	-1	3	407.536	3.007	10	30		HGEEHM
CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SCC(=O)NC(C)(C)C)[n-]2)cc1	ZINC000005927779	557681085	/nfs/dbraw/zinc/68/10/85/557681085.db2.gz	MUBDEZMXOLMNMC-UDWIEESQSA-N	-1	3	403.556	3.104	10	30		HGEEHM
C=CCN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]1)C[C@@H](C)O	ZINC000036207750	518800348	/nfs/dbraw/zinc/80/03/48/518800348.db2.gz	ZJMPGCDNLKYDBS-CYBMUJFWSA-N	-1	3	415.515	3.038	10	30		HGEEHM