smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1	ZINC000013863705	581097214	/nfs/dbraw/zinc/09/72/14/581097214.db2.gz	VGQFBYXDHFTAHX-UHFFFAOYSA-N	1	2	372.384	4.400	1	5		FIBFLO
COc1cc(C)[nH+]c2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc21	ZINC000045192071	205117439	/nfs/dbraw/zinc/11/74/39/205117439.db2.gz	PQZKLCFLSWMWAW-UHFFFAOYSA-N	1	2	352.350	4.104	1	5		FIBFLO
Cc1cccc(C)c1NC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1	ZINC000061852916	205288509	/nfs/dbraw/zinc/28/85/09/205288509.db2.gz	JHUKETOFMVFIPC-HXUWFJFHSA-N	1	2	367.449	4.377	3	5		FIBFLO
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@H](C)[N@H+](Cc1ccccc1)CC3	ZINC000005885845	207122386	/nfs/dbraw/zinc/12/23/86/207122386.db2.gz	JGDRHEPJRJEPOY-ZDUSSCGKSA-N	1	2	351.406	4.204	1	5		FIBFLO
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@H](C)[N@@H+](Cc1ccccc1)CC3	ZINC000005885845	207122388	/nfs/dbraw/zinc/12/23/88/207122388.db2.gz	JGDRHEPJRJEPOY-ZDUSSCGKSA-N	1	2	351.406	4.204	1	5		FIBFLO
Oc1cccc(N2CCN(c3[nH+]c4ccccc4c4ccccc43)CC2)c1	ZINC000103264612	132237139	/nfs/dbraw/zinc/23/71/39/132237139.db2.gz	UCXQUJXMAIQIMC-UHFFFAOYSA-N	1	2	355.441	4.420	1	5		FIBFLO
Cc1cccc(C)c1NC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1	ZINC000061852917	212026626	/nfs/dbraw/zinc/02/66/26/212026626.db2.gz	JHUKETOFMVFIPC-FQEVSTJZSA-N	1	2	367.449	4.377	3	5		FIBFLO
COC(=O)[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2[nH+]c2ccccc21	ZINC000013906495	220099121	/nfs/dbraw/zinc/09/91/21/220099121.db2.gz	OOTHGTPTLCSOEZ-NRFANRHFSA-N	1	2	371.392	4.422	1	5		FIBFLO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CCCC[C@@H]1n1cc[nH+]c1	ZINC000066073845	221239303	/nfs/dbraw/zinc/23/93/03/221239303.db2.gz	XAJJUOJMPIDNBX-JSGCOSHPSA-N	1	2	355.316	4.373	1	5		FIBFLO
COc1cc(/C=C(\Cn2cc[nH+]c2)c2ccc([N+](=O)[O-])cc2)cc(OC)c1	ZINC000053295005	221044560	/nfs/dbraw/zinc/04/45/60/221044560.db2.gz	YQTVYGYCYRUXSY-RQZCQDPDSA-N	1	2	365.389	4.049	1	5		FIBFLO