smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)n([O-])c2c1	ZINC000028957167	202179541	/nfs/dbraw/zinc/17/95/41/202179541.db2.gz	UUSTXIRBHDOIGM-UHFFFAOYSA-N	-1	3	334.129	3.611	1	5		EHBFHM
COc1cccc2c([O-])c3c(=O)c4c(cc-3n(C)c12)OC(C)(C)C=C4	ZINC000038208289	571753260	/nfs/dbraw/zinc/75/32/60/571753260.db2.gz	AUWXWUDANKEVNS-UHFFFAOYSA-N	-1	3	337.375	3.590	1	5	endogenous,in-man	EHBFHM
COc1cccc2c(=O)c3c([O-])c4c(cc3n(C)c12)OC(C)(C)C=C4	ZINC000038208289	571753262	/nfs/dbraw/zinc/75/32/62/571753262.db2.gz	AUWXWUDANKEVNS-UHFFFAOYSA-N	-1	3	337.375	3.590	1	5	endogenous,in-man	EHBFHM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000103177760	219266143	/nfs/dbraw/zinc/26/61/43/219266143.db2.gz	PKKWOBKFSNGXER-UHFFFAOYSA-N	-1	3	340.788	3.666	1	5		EHBFHM
O=C1[N-]C(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(O)ccc3c12	ZINC000013372376	560215228	/nfs/dbraw/zinc/21/52/28/560215228.db2.gz	GNCMMKJNEMBGHM-UHFFFAOYSA-N	-1	3	341.326	3.545	1	5	in-vitro	EHBFHM
COc1cccc2c(=O)c3c([O-])cc4c(c3n(C)c12)C=CC(C)(C)O4	ZINC000013307719	571696771	/nfs/dbraw/zinc/69/67/71/571696771.db2.gz	UNXDMEUOZWETRG-UHFFFAOYSA-N	-1	3	337.375	3.590	1	5	endogenous,in-man	EHBFHM