smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(Cl)ccc1N=Nc1sc(=S)[nH]c1[O-]	ZINC000068562364	304224358	/nfs/dbraw/zinc/22/43/58/304224358.db2.gz	AMSWTIQJTHNRHT-AIEXRURNSA-N	-2	0	315.763	2.596	40	10		DFCBRL
O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2	ZINC000005376078	181235710	/nfs/dbraw/zinc/23/57/10/181235710.db2.gz	UELLXGZDUZWVLV-UHFFFAOYSA-N	-2	0	311.359	2.519	40	10		DFCBRL
O=C([O-])c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1O	ZINC000026892672	182456571	/nfs/dbraw/zinc/45/65/71/182456571.db2.gz	ITHFNJCQUCSZHH-FOCLMDBBSA-N	-2	0	302.242	2.910	40	10		DFCBRL
O=C([O-])c1cc(Cl)ccc1N=Nc1sc(=S)[nH]c1[O-]	ZINC000068562367	304224241	/nfs/dbraw/zinc/22/42/41/304224241.db2.gz	AMSWTIQJTHNRHT-NFFZSNBGSA-N	-2	0	315.763	2.596	40	10		DFCBRL
O=C([O-])c1cc(Cl)ccc1N=Nc1sc(=S)[nH]c1[O-]	ZINC000100371212	426482102	/nfs/dbraw/zinc/48/21/02/426482102.db2.gz	AMSWTIQJTHNRHT-XTOMJFGFSA-N	-2	0	315.763	2.596	40	10		DFCBRL
O=C([O-])c1cc(Cl)ccc1N=Nc1sc(=S)[nH]c1[O-]	ZINC000100371217	426482267	/nfs/dbraw/zinc/48/22/67/426482267.db2.gz	AMSWTIQJTHNRHT-RFHJULCJSA-N	-2	0	315.763	2.596	40	10		DFCBRL
Cc1ccc(C)n1-c1cccc(-c2ncc(C(=O)[O-])c(=O)[nH]2)c1	ZINC000226102062	426618619	/nfs/dbraw/zinc/61/86/19/426618619.db2.gz	RJSDAKUSBQULRH-UHFFFAOYSA-N	-2	0	309.325	2.543	40	10		DFCBRL
O=C([O-])c1ccc(O/N=N/Oc2ccc(C(=O)[O-])cc2)cc1	ZINC000263618653	427527088	/nfs/dbraw/zinc/52/70/88/427527088.db2.gz	UVSFEXGFAVEUCF-FOCLMDBBSA-N	-2	0	302.242	2.823	40	10		DFCBRL