smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc(NC2=NC(=O)[C@@H](CC(=O)NCC(=O)[O-])S2)cc1	ZINC000002671221	209377070	/nfs/dbraw/zinc/37/70/70/209377070.db2.gz	NFMBWUFCGGUFAE-SECBINFHSA-N	-1	2	386.411	-0.665	40	0		GBABLM
NS(=O)(=O)c1ccc(NC2=NC(=O)C(CC(=O)NCC(=O)[O-])S2)cc1	ZINC000002671221	209377065	/nfs/dbraw/zinc/37/70/65/209377065.db2.gz	NFMBWUFCGGUFAE-SECBINFHSA-N	-1	2	386.411	-0.665	40	0		GBABLM
NS(=O)(=O)c1ccc(NC2=NC(=O)[C@H](CC(=O)NCC(=O)[O-])S2)cc1	ZINC000002671222	530072542	/nfs/dbraw/zinc/07/25/42/530072542.db2.gz	NFMBWUFCGGUFAE-VIFPVBQESA-N	-1	2	386.411	-0.665	40	0		GBABLM
NS(=O)(=O)c1ccc(NC2=NC(=O)C(CC(=O)NCC(=O)[O-])S2)cc1	ZINC000002671222	530072539	/nfs/dbraw/zinc/07/25/39/530072539.db2.gz	NFMBWUFCGGUFAE-VIFPVBQESA-N	-1	2	386.411	-0.665	40	0		GBABLM
CSc1[nH+]cnc2c1ccn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000005462303	530073515	/nfs/dbraw/zinc/07/35/15/530073515.db2.gz	RDLNVHQUQZBWDF-HAYRHPOISA-N	-1	2	377.315	-0.118	40	0		GBABLM
CSc1[nH+]cnc2c1ccn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000005462306	530073475	/nfs/dbraw/zinc/07/34/75/530073475.db2.gz	RDLNVHQUQZBWDF-FNOROQBZSA-N	-1	2	377.315	-0.118	40	0		GBABLM
CSc1[nH+]cnc2c1ccn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000005462309	530073108	/nfs/dbraw/zinc/07/31/08/530073108.db2.gz	RDLNVHQUQZBWDF-NHRVJRKFSA-N	-1	2	377.315	-0.118	40	0		GBABLM
CSc1[nH+]cnc2c1ccn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000005462310	530073495	/nfs/dbraw/zinc/07/34/95/530073495.db2.gz	RDLNVHQUQZBWDF-KIKITERTSA-N	-1	2	377.315	-0.118	40	0		GBABLM
[NH3+]CCCCCC(=O)NCCCC[C@@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000022048133	570778861	/nfs/dbraw/zinc/77/88/61/570778861.db2.gz	FHJGDBAWMRVKAB-LBPRGKRZSA-N	-1	2	375.422	-0.284	40	0	in-vitro	GBABLM