smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(C(=O)[O-])cc3)c2)c1	ZINC000014242683	506981704	/nfs/dbraw/zinc/98/17/04/506981704.db2.gz	QGBZRHDDOKSVNH-UHFFFAOYSA-N	-1	2	374.352	2.652	50	30		FFEALM
O=C1c2ccccc2C(=O)C(CC2C(=O)C(=O)[C@H]3C=CCC=C3C2=O)=C1[O-]	ZINC000101022497	120246423	/nfs/dbraw/zinc/24/64/23/120246423.db2.gz	CSTUXAZAWKGUIT-JQWIXIFHSA-N	-1	2	362.337	2.590	50	30		FFEALM
N#Cc1c(=O)[nH]c(SCc2cccc(C(=O)[O-])c2)nc1-c1ccco1	ZINC000021660128	507263183	/nfs/dbraw/zinc/26/31/83/507263183.db2.gz	FURQWAPWSOKFNL-UHFFFAOYSA-N	-1	2	353.359	2.892	50	30		FFEALM
N#Cc1c(=O)[nH]c(SCc2ccc(C(=O)[O-])cc2)nc1-c1ccco1	ZINC000031773914	507821652	/nfs/dbraw/zinc/82/16/52/507821652.db2.gz	XIYVSMYOKMXTNW-UHFFFAOYSA-N	-1	2	353.359	2.892	50	30		FFEALM
CC(C)(C)OC(=O)N=C(NCCCCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000034569712	506367739	/nfs/dbraw/zinc/36/77/39/506367739.db2.gz	PDHAIWOFMLXREX-UHFFFAOYSA-N	-1	2	359.423	2.851	50	30		FFEALM
O=C1c2ccccc2C(=O)C(CC2C(=O)C(=O)[C@@H]3C=CCC=C3C2=O)=C1[O-]	ZINC000101022501	120246380	/nfs/dbraw/zinc/24/63/80/120246380.db2.gz	CSTUXAZAWKGUIT-ZYHUDNBSSA-N	-1	2	362.337	2.590	50	30		FFEALM
O=C([O-])CCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000006446703	206202240	/nfs/dbraw/zinc/20/22/40/206202240.db2.gz	RCIQQIFYMFSYNT-HVESIFNPSA-N	-1	2	351.358	2.583	50	30		FFEALM
O=C([O-])CCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@H]1c1ccccc1	ZINC000006446688	206202747	/nfs/dbraw/zinc/20/27/47/206202747.db2.gz	RCIQQIFYMFSYNT-GROYHEBESA-N	-1	2	351.358	2.583	50	30		FFEALM
COc1cc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)ccc1OCC(=O)[O-]	ZINC000013350770	522048665	/nfs/dbraw/zinc/04/86/65/522048665.db2.gz	IYPXEVZSUSSCRO-GORDUTHDSA-N	-1	2	373.317	2.669	50	30		FFEALM
O=C1c2ccccc2C(=O)C(CC2C(=O)C(=O)[C@H]3C=CCC=C3C2=O)=C1[O-]	ZINC000101022505	120246281	/nfs/dbraw/zinc/24/62/81/120246281.db2.gz	CSTUXAZAWKGUIT-PWSUYJOCSA-N	-1	2	362.337	2.590	50	30		FFEALM
O=C1c2ccccc2C(=O)C(CC2C(=O)C(=O)[C@@H]3C=CCC=C3C2=O)=C1[O-]	ZINC000000642075	263141245	/nfs/dbraw/zinc/14/12/45/263141245.db2.gz	CSTUXAZAWKGUIT-CMPLNLGQSA-N	-1	2	362.337	2.590	50	30		FFEALM
Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3C(=O)[O-])c2)c1	ZINC000014139662	220109461	/nfs/dbraw/zinc/10/94/61/220109461.db2.gz	QLPJTDWFTXUYJT-UHFFFAOYSA-N	-1	2	374.352	2.652	50	30		FFEALM