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[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)[nH]1	ZINC000409333319	231191067	/nfs/dbraw/zinc/19/10/67/231191067.db2.gz	JKUOKQCEKZZTNR-DJWKRKHSSA-N	0	2	394.170	4.533	40	5		GJBBLN
O=C1S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1CC1CCCCC1	ZINC000409132835	534822246	/nfs/dbraw/zinc/82/22/46/534822246.db2.gz	LWTQWKDYJLGABZ-VGOFMYFVSA-N	0	2	396.852	4.570	40	5		GJBBLN
O=C(Nc1cc([N+](=O)[O-])ccc1O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000001752618	570421965	/nfs/dbraw/zinc/42/19/65/570421965.db2.gz	XMWWHGPMXTWRRI-UHFFFAOYSA-N	0	2	375.690	4.617	40	5		GJBBLN
O=[N+]([O-])c1cc(NC(=S)SCc2ccc3c(c2)OCO3)ccc1Cl	ZINC000006513388	570462897	/nfs/dbraw/zinc/46/28/97/570462897.db2.gz	LYDKRIWRFSTARN-UHFFFAOYSA-N	0	2	382.850	4.607	40	5		GJBBLN
Cc1ccc(NNc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1C	ZINC000005337669	570555646	/nfs/dbraw/zinc/55/56/46/570555646.db2.gz	VKRFGVJTCHSJQK-UHFFFAOYSA-N	0	2	378.436	4.517	40	5		GJBBLN