smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1	ZINC000001174887	536729409	/nfs/dbraw/zinc/72/94/09/536729409.db2.gz	SELUVYHZZYAHPP-MDWZMJQESA-N	-2	1	400.774	2.499	50	10		HECAML
CC(C)N1C(=O)C(=CNC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)C(=O)[N-]C1=S	ZINC000020591963	519665089	/nfs/dbraw/zinc/66/50/89/519665089.db2.gz	OKRRHWCKDZTSSQ-IGVUGNCQSA-N	-2	1	409.895	2.024	50	10		HECAML
O=C([O-])CCn1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(-c2cccc(Cl)c2)n1	ZINC000020149119	558340034	/nfs/dbraw/zinc/34/00/34/558340034.db2.gz	HRAKUZPJAJKDEJ-UHFFFAOYSA-N	-2	1	404.835	2.433	50	10		HECAML
O=C([O-])CCn1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(-c2cccc(Cl)c2)n1	ZINC000020149119	558340037	/nfs/dbraw/zinc/34/00/37/558340037.db2.gz	HRAKUZPJAJKDEJ-UHFFFAOYSA-N	-2	1	404.835	2.433	50	10		HECAML
O=C([O-])CCn1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(-c2cccc(Cl)c2)n1	ZINC000020149119	558340040	/nfs/dbraw/zinc/34/00/40/558340040.db2.gz	HRAKUZPJAJKDEJ-UHFFFAOYSA-N	-2	1	404.835	2.433	50	10		HECAML
CC(C)N1C(=O)C(=CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)C(=O)[N-]C1=S	ZINC000020591961	519664961	/nfs/dbraw/zinc/66/49/61/519664961.db2.gz	OKRRHWCKDZTSSQ-ZMTLZGASSA-N	-2	1	409.895	2.024	50	10		HECAML
COc1cc(C=C2SC(=O)[N-]C2=S)ccc1OC(=O)C[C@@H]1SC(=O)[N-]C1=O	ZINC000015856681	558757099	/nfs/dbraw/zinc/75/70/99/558757099.db2.gz	YIBFTFAUZKVPRB-QIMWGGGBSA-N	-2	1	424.481	2.467	50	10		HECAML
O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1	ZINC000001128324	557196704	/nfs/dbraw/zinc/19/67/04/557196704.db2.gz	NWEWDDXGNMBTNC-UHFFFAOYSA-N	-2	1	400.774	2.367	50	10		HECAML
O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1	ZINC000001128324	557196708	/nfs/dbraw/zinc/19/67/08/557196708.db2.gz	NWEWDDXGNMBTNC-UHFFFAOYSA-N	-2	1	400.774	2.367	50	10		HECAML
COc1cc(C=C2SC(=O)[N-]C2=S)ccc1OC(=O)C[C@H]1SC(=O)[N-]C1=O	ZINC000015856684	558757128	/nfs/dbraw/zinc/75/71/28/558757128.db2.gz	YIBFTFAUZKVPRB-KMFOOYFMSA-N	-2	1	424.481	2.467	50	10		HECAML
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000004712007	557585702	/nfs/dbraw/zinc/58/57/02/557585702.db2.gz	DCCWFYCZPMPCQU-UHFFFAOYSA-N	-2	1	403.847	2.360	50	10		HECAML
O=C([O-])c1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000001132948	560727242	/nfs/dbraw/zinc/72/72/42/560727242.db2.gz	MBQFPEYHPOIPQR-UHFFFAOYSA-N	-2	1	400.774	2.367	50	10		HECAML
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000001132948	560727243	/nfs/dbraw/zinc/72/72/43/560727243.db2.gz	MBQFPEYHPOIPQR-UHFFFAOYSA-N	-2	1	400.774	2.367	50	10		HECAML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000095467299	568624532	/nfs/dbraw/zinc/62/45/32/568624532.db2.gz	OTZXIRVODZGAIX-UHFFFAOYSA-N	-2	1	401.784	2.283	50	10		HECAML