smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1oc2ccccc2c([O-])c1C(c1ccc([N+](=O)[O-])cc1)c1c(=O)oc2ccccc2c1[O-]	ZINC000100247702	569756242	/nfs/dbraw/zinc/75/62/42/569756242.db2.gz	OGZSNWHXIZDTOX-UHFFFAOYSA-N	-2	0	457.394	4.399	50	5	biogenic	JIBARL
CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[O-]	ZINC000012750218	195105293	/nfs/dbraw/zinc/10/52/93/195105293.db2.gz	ZCNPWIOOBMJKKW-LJQANCHMSA-N	-2	0	487.559	4.312	50	5		JIBARL
O=c1oc2ccccc2c([O-])c1C(c1cccc([N+](=O)[O-])c1)c1c(=O)oc2ccccc2c1[O-]	ZINC000008768335	554668871	/nfs/dbraw/zinc/66/88/71/554668871.db2.gz	WGXVUBFJTUAQOL-UHFFFAOYSA-N	-2	0	457.394	4.399	50	5	biogenic	JIBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000013142043	555341045	/nfs/dbraw/zinc/34/10/45/555341045.db2.gz	MJOHOGSCUVWOFH-UHFFFAOYSA-N	-3	0	497.511	4.055	50	5		JIBARL
O=C([O-])c1ccc(Sc2nnc(Sc3ccc(C(=O)[O-])cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1	ZINC000009090718	194525378	/nfs/dbraw/zinc/52/53/78/194525378.db2.gz	GYWAWCZDKZBXAP-UHFFFAOYSA-N	-2	0	480.461	4.053	50	5		JIBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccccc1[N+](=O)[O-]	ZINC000137037963	569864814	/nfs/dbraw/zinc/86/48/14/569864814.db2.gz	OQBZZOGHVDUCFG-UHFFFAOYSA-N	-2	0	481.512	4.350	50	5		JIBARL
CC[C@H]1c2ccsc2CCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[O-]	ZINC000012750212	195105303	/nfs/dbraw/zinc/10/53/03/195105303.db2.gz	ZCNPWIOOBMJKKW-IBGZPJMESA-N	-2	0	487.559	4.312	50	5		JIBARL
O=c1oc2ccccc2c([O-])c1C(c1ccccc1[N+](=O)[O-])c1c(=O)oc2ccccc2c1[O-]	ZINC000004512490	194391131	/nfs/dbraw/zinc/39/11/31/194391131.db2.gz	TUHSRMSCBAFLPJ-UHFFFAOYSA-N	-2	0	457.394	4.399	50	5		JIBARL