smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@H]1CC1[N+](=O)[O-]	32627893	168112150	/nfs/dbraw/zinc/11/21/50/168112150.db2.gz	IUWIUHGJPLTNRP-QWWZWVQMSA-N	0	1	145.114	-0.175	50	5		ABBAMN
Cn1nc(CN)cc1[N+](=O)[O-]	72209634	169062176	/nfs/dbraw/zinc/06/21/76/169062176.db2.gz	FRYDJVIZNBZTPP-UHFFFAOYSA-N	0	1	156.145	-0.213	50	5		ABBAMN
NNc1c(O)ccc([N+](=O)[O-])c1NN	40538118	169237622	/nfs/dbraw/zinc/23/76/22/169237622.db2.gz	DVPMGURBJKTNJB-UHFFFAOYSA-N	0	1	199.170	-0.128	50	5		ABBAMN
Nc1nc(=O)[nH]cc1[N+](=O)[O-]	5438592	169304239	/nfs/dbraw/zinc/30/42/39/169304239.db2.gz	SPDBZGFVYQCVIU-UHFFFAOYSA-N	0	1	156.101	-0.740	50	5		ABBAMN
Nc1ncc([N+](=O)[O-])c(=O)[nH]1	17003686	169309047	/nfs/dbraw/zinc/30/90/47/169309047.db2.gz	XQMCRIHJUALWCL-UHFFFAOYSA-N	0	1	156.101	-0.740	50	5		ABBAMN
NC(=O)c1n[nH]cc1[N+](=O)[O-]	5127885	171015387	/nfs/dbraw/zinc/01/53/87/171015387.db2.gz	SVHOGXCJBBYKOT-UHFFFAOYSA-N	0	1	156.101	-0.583	50	5		ABBAMN
NC(=O)c1nc([N+](=O)[O-])c[nH]c1=O	77011398	171119588	/nfs/dbraw/zinc/11/95/88/171119588.db2.gz	OSFLEHUTGSKIPE-UHFFFAOYSA-N	0	1	184.111	-0.811	50	5		ABBAMN
CNC(=O)c1n[nH]cc1[N+](=O)[O-]	1066788	342943320	/nfs/dbraw/zinc/94/33/20/342943320.db2.gz	ISNHIOFCZRFQMK-UHFFFAOYSA-N	0	1	170.128	-0.323	50	5		ABBAMN
Cc1nc(N)[nH]c(=O)c1[N+](=O)[O-]	17328380	343046222	/nfs/dbraw/zinc/04/62/22/343046222.db2.gz	PFTYCGMGNJVFIX-UHFFFAOYSA-N	0	1	170.128	-0.431	50	5	in-vitro	ABBAMN