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-])CC(=O)C=C(Cl)C(=O)[O-]	13510268	560217939	/nfs/dbraw/zinc/21/79/39/560217939.db2.gz	QOHGUQUQCPIROQ-RJRFIUFISA-N	-2	0	192.554	0.238	1	30	in-vitro,metabolite	ACEFRL
C=CCOP(=O)([O-])[O-]	13491811	166196053	/nfs/dbraw/zinc/19/60/53/166196053.db2.gz	DZMOLBFHXFZZBF-UHFFFAOYSA-N	-2	0	138.059	0.282	1	30		ACEFRL
N#CCC[C@@H](CC(=O)C(=O)[O-])C(=O)[O-]	95594050	169094834	/nfs/dbraw/zinc/09/48/34/169094834.db2.gz	CTVVTFJPHJRONK-YFKPBYRVSA-N	-2	0	199.162	0.035	1	30		ACEFRL
N#CCC[C@H](CC(=O)C(=O)[O-])C(=O)[O-]	95594051	169096021	/nfs/dbraw/zinc/09/60/21/169096021.db2.gz	CTVVTFJPHJRONK-RXMQYKEDSA-N	-2	0	199.162	0.035	1	30		ACEFRL
O=C([O-])C(=O)C=C([O-])c1ccco1	6732109	171020629	/nfs/dbraw/zinc/02/06/29/171020629.db2.gz	XFDZEYUVDBWOOH-PLNGDYQASA-N	-2	0	182.131	0.832	1	30		ACEFRL