smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Cl)c([N+](=O)[O-])c(C=O)c1OC	ZINC000004290825	372194794	/nfs/dbraw/zinc/19/47/94/372194794.db2.gz	ZQBRWPGRQHXROM-UHFFFAOYSA-N	0	0	245.618	2.078	30	5		BEBCRN
CCC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000004291245	168255197	/nfs/dbraw/zinc/25/51/97/168255197.db2.gz	PSNUJWYZXLDDHS-UHFFFAOYSA-N	0	0	239.227	2.205	30	5		BEBCRN
CCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-]	ZINC000034497524	350266600	/nfs/dbraw/zinc/26/66/00/350266600.db2.gz	DOPXTTBUVJTHCI-UHFFFAOYSA-N	0	0	237.255	2.436	30	5		BEBCRN
CCOC(=O)c1ccc([N+](=O)[O-])cc1OCC	ZINC000095915998	368383112	/nfs/dbraw/zinc/38/31/12/368383112.db2.gz	VMIPKNWALSUQDX-UHFFFAOYSA-N	0	0	239.227	2.170	30	5		BEBCRN
O=C(c1cccnc1)c1cccc([N+](=O)[O-])c1	ZINC000022009670	363146983	/nfs/dbraw/zinc/14/69/83/363146983.db2.gz	KAMRUHHCLSYNFU-UHFFFAOYSA-N	0	0	228.207	2.221	30	5		BEBCRN
NN=c1[nH]c(-c2ccccc2[N+](=O)[O-])cs1	ZINC000004293993	372197462	/nfs/dbraw/zinc/19/74/62/372197462.db2.gz	COOOGXSSGFKCGW-UHFFFAOYSA-N	0	0	236.256	2.004	30	5		BEBCRN
O=[N+]([O-])c1cccc(OCCCCCO)c1	ZINC000051020457	182946653	/nfs/dbraw/zinc/94/66/53/182946653.db2.gz	GCBYZKCTCJVRPF-UHFFFAOYSA-N	0	0	225.244	2.136	30	5		BEBCRN
NN=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000003162484	388367293	/nfs/dbraw/zinc/36/72/93/388367293.db2.gz	LGDRZMUIHCSRSO-UHFFFAOYSA-N	0	0	236.256	2.004	30	5		BEBCRN