smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c2cc3nc4ccccc4nc3cc2[nH+]1	ZINC000004159274	180087538	/nfs/dbraw/zinc/08/75/38/180087538.db2.gz	ZPQQNNBHJZZHES-UHFFFAOYSA-N	1	2	234.262	2.968	50	5		BFBALO
Cn1c2cc[nH+]cc2c2cc([N+](=O)[O-])ccc21	ZINC000000066383	180627324	/nfs/dbraw/zinc/62/73/24/180627324.db2.gz	KKAZBBJRXDFIAA-UHFFFAOYSA-N	1	2	227.223	2.635	50	5		BFBALO
c1ccc2c(c1)[nH]c1[nH+]c3ccccc3n21	ZINC000116879572	342938561	/nfs/dbraw/zinc/93/85/61/342938561.db2.gz	KLACMEYLRXQSMN-UHFFFAOYSA-N	1	2	207.236	2.969	50	5		BFBALO
O=[N+]([O-])c1ccc(-c2[nH+]cc3ccccn32)s1	ZINC000008717016	372858852	/nfs/dbraw/zinc/85/88/52/372858852.db2.gz	UWSXKXYLIOWVGI-UHFFFAOYSA-N	1	2	245.263	2.971	50	5		BFBALO
O=[N+]([O-])c1ccc(Oc2cc[nH+]cc2)cc1	ZINC000054965368	398282548	/nfs/dbraw/zinc/28/25/48/398282548.db2.gz	WNLPFSUCTGPURU-UHFFFAOYSA-N	1	2	216.196	2.782	50	5		BFBALO
Cc1c[nH]c(CNc2ccc([N+](=O)[O-])c(C)c2)[nH+]1	ZINC000585132571	344145900	/nfs/dbraw/zinc/14/59/00/344145900.db2.gz	ALLAHINQDIDKOQ-UHFFFAOYSA-N	1	2	246.270	2.547	50	5		BFBALO
OCCNc1[nH+]c2ccccc2c2ccccc21	ZINC000031716641	183080969	/nfs/dbraw/zinc/08/09/69/183080969.db2.gz	MFQMJFDOYQXJHO-UHFFFAOYSA-N	1	2	238.290	2.792	50	5		BFBALO
COc1ccc2c(c1)[nH]c1c2[nH+]c2ccccn21	ZINC000045067935	175217632	/nfs/dbraw/zinc/21/76/32/175217632.db2.gz	NQMXWLXGXRBVKM-UHFFFAOYSA-N	1	2	237.262	2.977	50	5		BFBALO
CC(C)c1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1	ZINC000004626348	343665577	/nfs/dbraw/zinc/66/55/77/343665577.db2.gz	HPXFONXFOUFRTP-UHFFFAOYSA-N	1	2	231.255	2.904	50	5		BFBALO
CCCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000016662662	360181497	/nfs/dbraw/zinc/18/14/97/360181497.db2.gz	DAJQSOUYBMGOQV-UHFFFAOYSA-N	1	2	238.287	2.532	50	5		BFBALO
CCCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000016662662	360181502	/nfs/dbraw/zinc/18/15/02/360181502.db2.gz	DAJQSOUYBMGOQV-UHFFFAOYSA-N	1	2	238.287	2.532	50	5		BFBALO
O=[N+]([O-])c1ccccc1-c1[nH+]cc2ccccn21	ZINC000000145293	344564595	/nfs/dbraw/zinc/56/45/95/344564595.db2.gz	KEJFRSHZDKLLBP-UHFFFAOYSA-N	1	2	239.234	2.910	50	5		BFBALO
O=[N+]([O-])c1ccccc1Oc1cc[nH+]cc1	ZINC000071767228	384674149	/nfs/dbraw/zinc/67/41/49/384674149.db2.gz	DSCXYBWWBUWANL-UHFFFAOYSA-N	1	2	216.196	2.782	50	5		BFBALO
CCCC[N@H+](C)Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000016662670	360181050	/nfs/dbraw/zinc/18/10/50/360181050.db2.gz	FFCIFZQKZCQDAQ-UHFFFAOYSA-N	1	2	238.287	2.532	50	5		BFBALO
CCCC[N@@H+](C)Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000016662670	360181053	/nfs/dbraw/zinc/18/10/53/360181053.db2.gz	FFCIFZQKZCQDAQ-UHFFFAOYSA-N	1	2	238.287	2.532	50	5		BFBALO
OCc1c2ccccc2[nH+]c2ccccc21	ZINC000004773978	183160134	/nfs/dbraw/zinc/16/01/34/183160134.db2.gz	YUZUPQZNFZWBSR-UHFFFAOYSA-N	1	2	209.248	2.880	50	5		BFBALO
O=[N+]([O-])c1ccc(CNc2cc[nH+]cc2F)cc1	ZINC000192149768	387352173	/nfs/dbraw/zinc/35/21/73/387352173.db2.gz	FISHBXZSTMSJKX-UHFFFAOYSA-N	1	2	247.229	2.741	50	5		BFBALO
Cc1c[nH+]cc(NCc2cccc([N+](=O)[O-])c2)c1	ZINC000095430909	388771797	/nfs/dbraw/zinc/77/17/97/388771797.db2.gz	RMIHVMSANPFBAQ-UHFFFAOYSA-N	1	2	243.266	2.910	50	5		BFBALO
C[NH+]1C=CC(=Cc2ccc([N+](=O)[O-])cc2)C=C1	ZINC000002164547	363494824	/nfs/dbraw/zinc/49/48/24/363494824.db2.gz	DRAUPCPPCPEKKF-UHFFFAOYSA-N	1	2	228.251	2.951	50	5		BFBALO
C[NH+](C)/C=C/c1oc2ccc(O)cc2c1[N+](=O)[O-]	ZINC000059925553	172351149	/nfs/dbraw/zinc/35/11/49/172351149.db2.gz	XEULJPQFOBUHGA-AATRIKPKSA-N	1	2	248.238	2.579	50	5		BFBALO