smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCNc1ccc(NCCN(C)c2ccccc2)c2c1C(=O)c1c([O-])ccc(O)c1C2=O)c1ccccc1	ZINC000029493199	562029355	/nfs/dbraw/zinc/02/93/55/562029355.db2.gz	JISSSUKHAKMIRY-UHFFFAOYSA-N	-1	3	536.632	4.970	10	10		KJCEHM
C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@@H]2C[C@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O	ZINC000082186464	562742452	/nfs/dbraw/zinc/74/24/52/562742452.db2.gz	MFTJRTUKCOVIMD-RUQNJTLRSA-N	-1	3	688.818	4.678	10	10	in-vitro	KJCEHM