smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Cl)cc(-c2cc(Cl)c([O-])c(Cl)c2)cc1Cl	ZINC000000294550	563932028	/nfs/dbraw/zinc/93/20/28/563932028.db2.gz	YCYDXOVJXVALHY-UHFFFAOYSA-N	-2	0	323.990	5.378	50	0	in-vivo	DKAARL
O=C([O-])CCCCCCCCCCCCCCCCC(=O)[O-]	ZINC000005178630	181213749	/nfs/dbraw/zinc/21/37/49/181213749.db2.gz	BNJOQKFENDDGSC-UHFFFAOYSA-N	-2	0	314.466	5.397	50	0	endogenous,in-man	DKAARL
O=C([O-])CCCCCCC/C=C/CCCCCCCC(=O)[O-]	ZINC000014616324	181961817	/nfs/dbraw/zinc/96/18/17/181961817.db2.gz	SBLKVIQSIHEQOF-OWOJBTEDSA-N	-2	0	312.450	5.173	50	0	in-vitro	DKAARL
O=C([O-])CCCCCCCCCCCCCCCC(=O)[O-]	ZINC000033903671	563446190	/nfs/dbraw/zinc/44/61/90/563446190.db2.gz	QCNWZROVPSVEJA-UHFFFAOYSA-N	-2	0	300.439	5.007	50	0		DKAARL
CC(C)(CCCCCCCCCCC(C)(C)C(=O)[O-])C(=O)[O-]	ZINC000071767160	191029049	/nfs/dbraw/zinc/02/90/49/191029049.db2.gz	WAZHJKKFQRONHO-UHFFFAOYSA-N	-2	0	314.466	5.109	50	0		DKAARL