smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCNCC2)s1	ZINC000004286985	351317447	/nfs/dbraw/zinc/31/74/47/351317447.db2.gz	HQYILIGGLRWEOU-UHFFFAOYSA-N	0	3	292.342	-0.287	50	5		CBBAHN
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2N1CCNCC1	ZINC000095481811	285143756	/nfs/dbraw/zinc/14/37/56/285143756.db2.gz	OLASGDAHAZVKSY-UHFFFAOYSA-N	0	3	296.308	-0.051	50	5		CBBAHN
Cn1cc([N+](=O)[O-])c(C(=O)NCc2cc[nH]n2)n1	ZINC000006413818	170199510	/nfs/dbraw/zinc/19/95/10/170199510.db2.gz	PSYUWWFIHVNMKT-UHFFFAOYSA-N	0	3	250.218	-0.019	50	5		CBBAHN
NS(=O)(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000008418142	372755913	/nfs/dbraw/zinc/75/59/13/372755913.db2.gz	IEOMVJMFJSKYQG-UHFFFAOYSA-N	0	3	286.313	-0.348	50	5		CBBAHN
O=[N+]([O-])C([C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000239347360	352315322	/nfs/dbraw/zinc/31/53/22/352315322.db2.gz	MTYKSDFJLYJRDR-BRPSZJMVSA-N	0	3	297.354	-0.499	50	5		CBBAHN
O=[N+]([O-])c1ccc(S(=O)(=O)NC2CNC2)cc1	ZINC000090289346	351740209	/nfs/dbraw/zinc/74/02/09/351740209.db2.gz	WFPFHOTXZMHNCW-UHFFFAOYSA-N	0	3	257.271	-0.155	50	5		CBBAHN