smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(C=Cc2ccc(SC3CCCCC3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009189660	204357485	/nfs/dbraw/zinc/35/74/85/204357485.db2.gz	JUHGJSMKCLYRSH-SOFGYWHQSA-N	-2	0	363.395	3.572	50	5		FHBARL
O=C([O-])c1cnc2ccc(Cl)cc2c1Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000019795555	206325601	/nfs/dbraw/zinc/32/56/01/206325601.db2.gz	NELSLAPDBSJAGH-UHFFFAOYSA-N	-2	0	359.725	3.944	50	5		FHBARL
COc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)cc([N+](=O)[O-])c1[O-]	ZINC000225458296	206479677	/nfs/dbraw/zinc/47/96/77/206479677.db2.gz	WXOWJUYDARFSRH-GORDUTHDSA-N	-2	0	372.358	3.787	50	5		FHBARL
Cc1ccc(Sc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)cc1	ZINC000009295552	204361367	/nfs/dbraw/zinc/36/13/67/204361367.db2.gz	DEAAWBFTTHXWIA-XBXARRHUSA-N	-2	0	371.374	3.607	50	5		FHBARL
COc1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc([N+](=O)[O-])c1[O-]	ZINC000097993354	932489326	/nfs/dbraw/zinc/48/93/26/932489326.db2.gz	KMEBDMJQXHLFEV-SREVYHEPSA-N	-2	0	366.329	3.726	50	5		FHBARL
COc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)cc([N+](=O)[O-])c1[O-]	ZINC000436568353	567883866	/nfs/dbraw/zinc/88/38/66/567883866.db2.gz	WXOWJUYDARFSRH-DJWKRKHSSA-N	-2	0	372.358	3.787	50	5		FHBARL
O=[N+]([O-])c1cc(Cl)cc(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1[O-]	ZINC000035402184	208124340	/nfs/dbraw/zinc/12/43/40/208124340.db2.gz	ANQYSXNIMYNRQC-UHFFFAOYSA-N	-2	0	359.121	3.812	50	5		FHBARL
COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc([N+](=O)[O-])c1[O-]	ZINC000005938470	571168441	/nfs/dbraw/zinc/16/84/41/571168441.db2.gz	KMEBDMJQXHLFEV-VOTSOKGWSA-N	-2	0	366.329	3.726	50	5		FHBARL
O=c1[n-]c(C=Cc2c3ccccc3cc3ccccc32)nc([O-])c1[N+](=O)[O-]	ZINC000015009338	220141872	/nfs/dbraw/zinc/14/18/72/220141872.db2.gz	CDEKZUZNZLTVND-MDZDMXLPSA-N	-2	0	359.341	3.861	50	5		FHBARL