smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1	ZINC000017207857	210207234	/nfs/dbraw/zinc/20/72/34/210207234.db2.gz	ZMUJSQUPWBKHBQ-QFIPXVFZSA-N	0	2	396.406	4.735	50	5		GJBALN
Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000001040577	209293089	/nfs/dbraw/zinc/29/30/89/209293089.db2.gz	CIOZAKSMWKJWJU-UHFFFAOYSA-N	0	2	382.850	4.572	50	5		GJBALN
Cc1cccc(Nc2nnc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)s2)c1C	ZINC000004549091	204052395	/nfs/dbraw/zinc/05/23/95/204052395.db2.gz	GFMGOEXBEIMBJC-UHFFFAOYSA-N	0	2	394.412	4.580	50	5		GJBALN
CC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000004548998	204051618	/nfs/dbraw/zinc/05/16/18/204051618.db2.gz	WTYBOFZATCKTQO-UHFFFAOYSA-N	0	2	394.166	4.600	50	5		GJBALN
O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1	ZINC000017208146	210207627	/nfs/dbraw/zinc/20/76/27/210207627.db2.gz	RFMORLKBSBJSGA-JOCHJYFZSA-N	0	2	396.406	4.735	50	5		GJBALN
Cc1ccc([N+](=O)[O-])c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1	ZINC000004297021	204036613	/nfs/dbraw/zinc/03/66/13/204036613.db2.gz	BYZCYLVBNIANLD-UHFFFAOYSA-N	0	2	395.651	4.664	50	5		GJBALN
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)ccc(O)c3c(=O)c2c1O	ZINC000005854400	574412622	/nfs/dbraw/zinc/41/26/22/574412622.db2.gz	OJXQLGQIDIPMTE-UHFFFAOYSA-N	0	2	396.439	4.786	50	5	endogenous,in-man	GJBALN
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1	ZINC000017208143	207088085	/nfs/dbraw/zinc/08/80/85/207088085.db2.gz	RFMORLKBSBJSGA-QFIPXVFZSA-N	0	2	396.406	4.735	50	5		GJBALN
O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3cc(Cl)ccc3Cl)cccc21	ZINC000004980334	570386095	/nfs/dbraw/zinc/38/60/95/570386095.db2.gz	OFIUJUNISTTZKY-UHFFFAOYSA-N	0	2	397.239	4.856	50	5		GJBALN
O=C1c2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@H](c2ccccc2)N1c1ccccc1	ZINC000005090929	570414835	/nfs/dbraw/zinc/41/48/35/570414835.db2.gz	IZAIDELMEMUXIA-QFIPXVFZSA-N	0	2	396.406	4.735	50	5		GJBALN
Cc1ccc(Cn2c(=O)c3sc4ccc([N+](=O)[O-])cc4c3[nH]c2=S)cc1	ZINC000102726017	570858993	/nfs/dbraw/zinc/85/89/93/570858993.db2.gz	UZKKEPADHSRDDH-UHFFFAOYSA-N	0	2	383.454	4.539	50	5		GJBALN
CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000005090809	570414726	/nfs/dbraw/zinc/41/47/26/570414726.db2.gz	QKOIJIPMLYEQMI-UHFFFAOYSA-N	0	2	395.440	4.523	50	5		GJBALN
O=C1c2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@H](c2ccccc2)N1c1ccccc1	ZINC000005090927	570414754	/nfs/dbraw/zinc/41/47/54/570414754.db2.gz	IZAIDELMEMUXIA-JOCHJYFZSA-N	0	2	396.406	4.735	50	5		GJBALN
Cc1ccc(-c2csc(-n3[nH]c(-c4ccc([N+](=O)[O-])cc4)cc3=O)n2)cc1	ZINC000100579524	208377409	/nfs/dbraw/zinc/37/74/09/208377409.db2.gz	WCNLOQSRJHUSGH-UHFFFAOYSA-N	0	2	378.413	4.585	50	5		GJBALN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(F)(F)F)c1	ZINC000095950195	208241695	/nfs/dbraw/zinc/24/16/95/208241695.db2.gz	FLHVXEJMAZULOX-UHFFFAOYSA-N	0	2	396.346	4.568	50	5		GJBALN