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-])C1=NN(c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])C(=O)C1	ZINC000031308486	208011635	/nfs/dbraw/zinc/01/16/35/208011635.db2.gz	ULKCUTGVHUHOEK-UHFFFAOYSA-N	-3	0	364.313	-0.643	10	10		FBCERL
O=C([O-])CNS(=O)(=O)c1cc(C[NH2+]CC(=O)[O-])c([O-])c2ncccc12	ZINC000059517982	483815095	/nfs/dbraw/zinc/81/50/95/483815095.db2.gz	VOMWPZBNCDASHL-UHFFFAOYSA-N	-2	0	369.355	-0.523	10	10		FBCERL
O=C([O-])C1=C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](C(=O)[O-])O1	ZINC000067913498	485068346	/nfs/dbraw/zinc/06/83/46/485068346.db2.gz	ZQFOLQKZDARIIB-CZNKRCTLSA-N	-2	0	366.278	-0.164	10	10		FBCERL
O=C([O-])C1=C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](C(=O)[O-])O1	ZINC000067913503	208011396	/nfs/dbraw/zinc/01/13/96/208011396.db2.gz	ZQFOLQKZDARIIB-MWVDOTMNSA-N	-2	0	366.278	-0.164	10	10		FBCERL
O=C([O-])C[C@H](C(=O)[O-])[C@H]1c2c(O)c(O)c(O)cc2C(=O)O[C@H]1C(=O)[O-]	ZINC000100824658	210243774	/nfs/dbraw/zinc/24/37/74/210243774.db2.gz	COZMWVAACFYLBI-GYYKDMAASA-N	-3	0	356.239	-0.314	10	10	endogenous,in-man	FBCERL
O=C([O-])C[C@H](C(=O)[O-])[C@@H]1c2c(O)c(O)c(O)cc2C(=O)O[C@H]1C(=O)[O-]	ZINC000100824660	222254438	/nfs/dbraw/zinc/25/44/38/222254438.db2.gz	COZMWVAACFYLBI-YMXXCTJGSA-N	-3	0	356.239	-0.314	10	10	endogenous,in-man	FBCERL
Cc1cc(C[NH2+]C(C(=O)[O-])C(=O)[O-])c(O)c(CN(CC(=O)[O-])C(=O)[O-])c1	ZINC000215595827	483848143	/nfs/dbraw/zinc/84/81/43/483848143.db2.gz	ZBHKOKYJFAWKBB-UHFFFAOYSA-N	-3	0	370.314	-0.107	10	10		FBCERL
O=C([O-])C1=C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](C(=O)[O-])O1	ZINC000230083346	484962018	/nfs/dbraw/zinc/96/20/18/484962018.db2.gz	ZQFOLQKZDARIIB-OQONQOMPSA-N	-2	0	366.278	-0.164	10	10		FBCERL
O=C([O-])C1=C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](C(=O)[O-])O1	ZINC000253390659	527615799	/nfs/dbraw/zinc/61/57/99/527615799.db2.gz	ZQFOLQKZDARIIB-SXYIURFDSA-N	-2	0	366.278	-0.164	10	10		FBCERL