smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccc([O-])cc1)c1ccccc1[N+](=O)[O-]	ZINC000071245591	384743616	/nfs/dbraw/zinc/74/36/16/384743616.db2.gz	VVSIPWIQRLVVEF-UHFFFAOYSA-N	-1	1	243.218	2.531	40	5		BFBBMM
Nc1cc(-c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000073642799	187261328	/nfs/dbraw/zinc/26/13/28/187261328.db2.gz	LGMCUAZDLPOSCV-UHFFFAOYSA-N	-1	1	230.223	2.550	40	5		BFBBMM
CCCC(C)(C)c1cc(N)c([O-])c([N+](=O)[O-])c1	ZINC000026893784	359529124	/nfs/dbraw/zinc/52/91/24/359529124.db2.gz	OTGMZOJLXXCKBG-UHFFFAOYSA-N	-1	1	238.287	2.960	40	5		BFBBMM
O=c1c(Cl)c[n-]c2c1cccc2[N+](=O)[O-]	ZINC000019721859	371185195	/nfs/dbraw/zinc/18/51/95/371185195.db2.gz	XDDZQXQZUBKOKM-UHFFFAOYSA-N	-1	1	224.603	2.502	40	5		BFBBMM
CCC(C)(C)c1cc(N)c([O-])c([N+](=O)[O-])c1	ZINC000021983225	168306281	/nfs/dbraw/zinc/30/62/81/168306281.db2.gz	WLJLENRIPLYJSZ-UHFFFAOYSA-N	-1	1	224.260	2.570	40	5		BFBBMM
O=c1ccc2cc3ccc([O-])cc3[nH]c-2c1	ZINC000005161805	183284841	/nfs/dbraw/zinc/28/48/41/183284841.db2.gz	LXFYIIKDJZNGST-UHFFFAOYSA-N	-1	1	211.220	2.799	40	5		BFBBMM
Cc1cc([O-])c(C(C)(C)C)cc1[N+](=O)[O-]	ZINC000031273421	178196371	/nfs/dbraw/zinc/19/63/71/178196371.db2.gz	LCIFJBVMAQCODX-UHFFFAOYSA-N	-1	1	209.245	2.906	40	5		BFBBMM
O=C(c1ccc([O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000038237571	182663201	/nfs/dbraw/zinc/66/32/01/182663201.db2.gz	ZEYDQRVULMQZIU-UHFFFAOYSA-N	-1	1	243.218	2.531	40	5		BFBBMM