smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)CC[C@@H]1[C@H]([C@@H]2C(=O)CC[C@]2(C)[C@@H](CC(C)C)c2c([O-])c(C=O)c(O)c(C=O)c2O)C1(C)C	ZINC000033973265	569639430	/nfs/dbraw/zinc/63/94/30/569639430.db2.gz	KGPNGYABEKLGJP-LUTMTBRBSA-N	-1	2	486.605	5.185	10	0	endogenous,in-man	JKAELM
CC(=O)CC[C@@H]1[C@H]([C@@H]2C(=O)CC[C@]2(C)[C@H](CC(C)C)c2c([O-])c(C=O)c(O)c(C=O)c2O)C1(C)C	ZINC000098214457	569751026	/nfs/dbraw/zinc/75/10/26/569751026.db2.gz	KGPNGYABEKLGJP-FXYQFJFOSA-N	-1	2	486.605	5.185	10	0	endogenous,in-man	JKAELM
CC(=O)CC[C@@H]1[C@H]([C@H]2C(=O)CC[C@]2(C)[C@H](CC(C)C)c2c([O-])c(C=O)c(O)c(C=O)c2O)C1(C)C	ZINC000038749381	563135362	/nfs/dbraw/zinc/13/53/62/563135362.db2.gz	KGPNGYABEKLGJP-XTZMCNFWSA-N	-1	2	486.605	5.185	10	0	biogenic	JKAELM
CC(=O)CC[C@@H]1[C@H]([C@H]2C(=O)CC[C@]2(C)[C@@H](CC(C)C)c2c([O-])c(C=O)c(O)c(C=O)c2O)C1(C)C	ZINC000033973264	563111514	/nfs/dbraw/zinc/11/15/14/563111514.db2.gz	KGPNGYABEKLGJP-IGTSPWJPSA-N	-1	2	486.605	5.185	10	0	biogenic	JKAELM