smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nnc(-c4ccc(N(CC)CC)cc4)o3)nc(=O)c2c1C	ZINC000514405504	1071119382	/nfs/dbraw/zinc/11/93/82/1071119382.db2.gz	WXUFCHHBUYSMLE-CQSZACIVSA-N	-1	3	513.645	5.219	20	0		KKADHM
CCCCn1c(SCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[n-]2)nnc1[C@@H](CC)N(C)C	ZINC000514374652	1071097691	/nfs/dbraw/zinc/09/76/91/1071097691.db2.gz	DPHODOMTQPCIIF-HXUWFJFHSA-N	-1	3	567.785	5.859	20	0		KKADHM
C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000018329862	1071275161	/nfs/dbraw/zinc/27/51/61/1071275161.db2.gz	ITKLYJYSTLXIBC-GFCCVEGCSA-N	-1	3	500.005	5.459	20	0		KKADHM
C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000018329895	1071275188	/nfs/dbraw/zinc/27/51/88/1071275188.db2.gz	BHIVWXOMHRTAPS-LBPRGKRZSA-N	-1	3	500.005	5.459	20	0		KKADHM
COc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000642542986	1072832305	/nfs/dbraw/zinc/83/23/05/1072832305.db2.gz	VITWPZRRAALFOQ-UHFFFAOYSA-N	-1	3	500.001	5.525	20	0		KKADHM
O=C([N-]c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl)c1cc(-c2cccs2)on1	ZINC001189191725	1071299879	/nfs/dbraw/zinc/29/98/79/1071299879.db2.gz	DFMKRYBRQHDSDM-UHFFFAOYSA-N	-1	3	500.001	5.450	20	0		KKADHM
CCCCn1c(SCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[n-]2)nnc1[C@H](CC)N(C)C	ZINC000514374649	1071097828	/nfs/dbraw/zinc/09/78/28/1071097828.db2.gz	DPHODOMTQPCIIF-FQEVSTJZSA-N	-1	3	567.785	5.859	20	0		KKADHM
COc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000015704908	1071249589	/nfs/dbraw/zinc/24/95/89/1071249589.db2.gz	IVXQRHKAGHGWRV-UHFFFAOYSA-N	-1	3	500.001	5.525	20	0		KKADHM
C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000018329893	1071275338	/nfs/dbraw/zinc/27/53/38/1071275338.db2.gz	BHIVWXOMHRTAPS-GFCCVEGCSA-N	-1	3	500.005	5.459	20	0		KKADHM
Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CSc3nnc(C4CC4)n3C3CC3)nc(=O)c12	ZINC000514382753	1071103307	/nfs/dbraw/zinc/10/33/07/1071103307.db2.gz	CXGXXUYHZHRNPO-UHFFFAOYSA-N	-1	3	506.657	5.258	20	0		KKADHM
Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)nc(=O)c12	ZINC000514392648	1071114934	/nfs/dbraw/zinc/11/49/34/1071114934.db2.gz	ZVDYLIDIQOMAEU-UHFFFAOYSA-N	-1	3	573.763	5.023	20	0		KKADHM
C[C@H](Sc1nnc(COc2ccccc2Cl)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000018329865	1071275152	/nfs/dbraw/zinc/27/51/52/1071275152.db2.gz	ITKLYJYSTLXIBC-LBPRGKRZSA-N	-1	3	500.005	5.459	20	0		KKADHM
CC(=O)c1ccc(-c2noc(CCCCCCCNC(=O)c3ccccc3[O-])n2)c(Br)c1	ZINC001211749581	1071081599	/nfs/dbraw/zinc/08/15/99/1071081599.db2.gz	HOTCBFNAHGYLCF-UHFFFAOYSA-N	-1	3	500.393	5.330	20	0		KKADHM
COc1ccc(NC(=O)/C=C\c2nc3ccccc3s2)cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000913485339	1071180320	/nfs/dbraw/zinc/18/03/20/1071180320.db2.gz	WBCLIFRUENAIDI-SEYXRHQNSA-N	-1	3	500.001	5.411	20	0		KKADHM
COc1ccc(NC(=O)/C=C/c2nc3ccccc3s2)cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000015897922	1072897010	/nfs/dbraw/zinc/89/70/10/1072897010.db2.gz	WBCLIFRUENAIDI-OUKQBFOZSA-N	-1	3	500.001	5.411	20	0		KKADHM
CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nnc(-c4ccc(N(CC)CC)cc4)o3)nc(=O)c2c1C	ZINC000514405502	1071119474	/nfs/dbraw/zinc/11/94/74/1071119474.db2.gz	WXUFCHHBUYSMLE-AWEZNQCLSA-N	-1	3	513.645	5.219	20	0		KKADHM
CC(C)c1cc(Br)ccc1-c1noc(CCCCCCCNC(=O)c2ccccc2[O-])n1	ZINC001211749385	1071081296	/nfs/dbraw/zinc/08/12/96/1071081296.db2.gz	CCABHCRIUCSENN-UHFFFAOYSA-N	-1	3	500.437	6.251	20	0		KKADHM