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-])c1ccc2c(c1-c1c(C(=O)[O-])ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O	ZINC000017729655	553599296	/nfs/dbraw/zinc/59/92/96/553599296.db2.gz	VZUWPWDRIMDQDH-UHFFFAOYSA-N	-2	0	502.434	4.301	10	10		KICERL
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000033313410	562037064	/nfs/dbraw/zinc/03/70/64/562037064.db2.gz	OQSIVBNNWJHXAT-KGENOOAVSA-N	-2	0	500.463	4.257	10	10		KICERL
O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(Oc3ccc(C(=O)NCCC(=O)[O-])cc3)c(C(=O)[O-])c2)cc1	ZINC000077285334	553657907	/nfs/dbraw/zinc/65/79/07/553657907.db2.gz	BXJNXRKWSCKIFA-NVQSTNCTSA-N	-3	0	548.508	4.002	10	10	in-vitro	KICERL
O=C([O-])CCNC(=O)c1ccc(N=Nc2cc(C(=O)NCCC(=O)[O-])ccc2NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000077285338	553657886	/nfs/dbraw/zinc/65/78/86/553657886.db2.gz	IBCQZTYNNGNNDJ-HIPRBATPSA-N	-3	0	576.522	4.330	10	10	in-vitro	KICERL
O=C([O-])CCNC(=O)c1ccc(N=NC2=CC(=NNc3ccc(C(=O)NCCC(=O)[O-])cc3)C(=O)C(C(=O)[O-])=C2)cc1	ZINC000077285341	553657817	/nfs/dbraw/zinc/65/78/17/553657817.db2.gz	GTWSSNPLAKYAOG-RRPBDJRISA-N	-3	0	576.522	4.330	10	10	in-vitro	KICERL