smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([O-])c1-c1cc(-c2cccc(NC(=O)[C@H](O)CCC(=O)[O-])c2)c(C#N)c(N)n1	ZINC000013488190	562989698	/nfs/dbraw/zinc/98/96/98/562989698.db2.gz	AIPMQNGGZZHWBT-HXUWFJFHSA-N	-2	1	446.463	3.048	1	30		IGEFML
Cc1cccc([O-])c1-c1cc(-c2cccc(NC(=O)[C@@H](O)CCC(=O)[O-])c2)c(C#N)c(N)n1	ZINC000013488189	562989718	/nfs/dbraw/zinc/98/97/18/562989718.db2.gz	AIPMQNGGZZHWBT-FQEVSTJZSA-N	-2	1	446.463	3.048	1	30		IGEFML
Cc1c(-c2ccccc2[O-])nc(N)c(C#N)c1-c1cccc(NC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC000013488194	562989714	/nfs/dbraw/zinc/98/97/14/562989714.db2.gz	RBZKLMXUUICEOB-LJQANCHMSA-N	-2	1	446.463	3.048	1	30		IGEFML
Cc1c(-c2ccccc2[O-])nc(N)c(C#N)c1-c1cccc(NC(=O)[C@@H](O)CCC(=O)[O-])c1	ZINC000013488193	562989689	/nfs/dbraw/zinc/98/96/89/562989689.db2.gz	RBZKLMXUUICEOB-IBGZPJMESA-N	-2	1	446.463	3.048	1	30		IGEFML
CCCCCCCCc1ccc(-c2c[nH]c([C@@](N)(CO)COP(=O)([O-])[O-])n2)cc1	ZINC000038149364	563096524	/nfs/dbraw/zinc/09/65/24/563096524.db2.gz	VGOZVXOZNXFWTL-HXUWFJFHSA-N	-2	1	425.466	3.235	1	30		IGEFML
CCCCCCCCc1ccc(-c2c[nH]c([C@](N)(CO)COP(=O)([O-])[O-])n2)cc1	ZINC000038149365	563096516	/nfs/dbraw/zinc/09/65/16/563096516.db2.gz	VGOZVXOZNXFWTL-FQEVSTJZSA-N	-2	1	425.466	3.235	1	30		IGEFML