smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc([O-])ccc1CO	147816470	486956856	/nfs/dbraw/zinc/95/68/56/486956856.db2.gz	HNPPKJBKLPUPHI-UHFFFAOYSA-N	-1	1	169.136	0.793	40	5		ACBBMM
CC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	26506952	166318526	/nfs/dbraw/zinc/31/85/26/166318526.db2.gz	TWHBILSYMVFECO-UHFFFAOYSA-N	-1	1	182.135	0.486	40	5		ACBBMM
COc1ccc([N+](=O)[O-])c(=NN)[n-]1	71981114	168260355	/nfs/dbraw/zinc/26/03/55/168260355.db2.gz	JUHCAGRKCBPWEB-UHFFFAOYSA-N	-1	1	184.155	0.284	40	5		ACBBMM
N=NC(N)[N-]c1ccccc1[N+](=O)[O-]	238653597	169143575	/nfs/dbraw/zinc/14/35/75/169143575.db2.gz	IWWSSYNWOPMXGB-UHFFFAOYSA-N	-1	1	195.182	0.405	40	5		ACBBMM
NN=c1[n-]c(Cl)ccc1[N+](=O)[O-]	104570075	169238230	/nfs/dbraw/zinc/23/82/30/169238230.db2.gz	BHCFHUGDMSLUHL-UHFFFAOYSA-N	-1	1	188.574	0.929	40	5		ACBBMM
Cc1ncc([N+](=O)[O-])c(=O)[n-]1	34079352	343109723	/nfs/dbraw/zinc/10/97/23/343109723.db2.gz	SZVXANZKTJYROP-UHFFFAOYSA-N	-1	1	155.113	0.399	40	5		ACBBMM
Cc1ncc([N+](=O)[O-])c([O-])c1[N+](=O)[O-]	71256979	343551882	/nfs/dbraw/zinc/55/18/82/343551882.db2.gz	KYAHYWNWDCXEQL-UHFFFAOYSA-N	-1	1	199.122	0.912	40	5		ACBBMM
O=[N+]([O-])c1ccn([O-])c2ncnc1-2	32221323	371630956	/nfs/dbraw/zinc/63/09/56/371630956.db2.gz	XYOMJEGDEBBHAI-UHFFFAOYSA-N	-1	1	180.123	0.528	40	5		ACBBMM