smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1nc[n-]c(=O)c1[N+](=O)[O-]	12654012	168071862	/nfs/dbraw/zinc/07/18/62/168071862.db2.gz	XSUMVHAKMGCFBA-UHFFFAOYSA-N	-1	1	170.128	-0.280	40	5		ABBBMM
COc1nc([N+](=O)[O-])n[n-]1	39245318	168285044	/nfs/dbraw/zinc/28/50/44/168285044.db2.gz	UWLMHJSOAOQYSF-UHFFFAOYSA-N	-1	1	144.090	-0.279	40	5		ABBBMM
COc1[n-]cnc(=NN)c1[N+](=O)[O-]	16194436	168288618	/nfs/dbraw/zinc/28/86/18/168288618.db2.gz	GUGYFWSUFJHVLF-UHFFFAOYSA-N	-1	1	185.143	-0.321	40	5		ABBBMM
Cn1c(=O)[n-]cc([N+](=O)[O-])c1=O	1559180	169035586	/nfs/dbraw/zinc/03/55/86/169035586.db2.gz	CZQHCPSSXFKBNP-UHFFFAOYSA-N	-1	1	171.112	-0.606	40	5		ABBBMM
Cn1ncc([N+](=O)[O-])c([O-])c1=O	96517739	169064966	/nfs/dbraw/zinc/06/49/66/169064966.db2.gz	GDKWHJVBRXYZMF-UHFFFAOYSA-N	-1	1	171.112	-0.606	40	5		ABBBMM
Cc1nc(=NN)c([N+](=O)[O-])c(NN)[n-]1	6223661	343013345	/nfs/dbraw/zinc/01/33/45/343013345.db2.gz	ZFPAZOBBVXFTFU-UHFFFAOYSA-N	-1	1	199.174	-0.736	40	5		ABBBMM
CN(N=O)c1nc([N+](=O)[O-])n[n-]1	95116193	631161017	/nfs/dbraw/zinc/16/10/17/631161017.db2.gz	TXEXSCZMUZAFIP-UHFFFAOYSA-N	-1	1	172.104	-0.170	40	5		ABBBMM
Cn1c([N+](=O)[O-])c[n-]c1=O	104631656	1169139642	/nfs/dbraw/zinc/13/96/42/1169139642.db2.gz	SVAPKTPODYDOQB-UHFFFAOYSA-N	-1	1	143.102	-0.378	40	5		ABBBMM