smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1[n-]n2c(nc(CNNc3ccc(F)cc3)cc2=O)c1[N+](=O)[O-]	ZINC000028136918	202165668	/nfs/dbraw/zinc/16/56/68/202165668.db2.gz	ZJSGWLHNNGWPDJ-UHFFFAOYSA-N	-1	0	333.283	1.181	1	5		EDBFRM
CC1=C(C)[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(nc3[n-]nnn3c2=O)N1	ZINC000102809596	204049985	/nfs/dbraw/zinc/04/99/85/204049985.db2.gz	OFBMOQFVGDTWRQ-NSHDSACASA-N	-1	0	339.315	1.572	1	5		EDBFRM
CC1=C(C)[C@H](c2ccc([N+](=O)[O-])cc2)c2c(nc3[n-]nnn3c2=O)N1	ZINC000102809598	204050065	/nfs/dbraw/zinc/05/00/65/204050065.db2.gz	OFBMOQFVGDTWRQ-LLVKDONJSA-N	-1	0	339.315	1.572	1	5		EDBFRM
O=C([O-])c1nc2c(=O)[nH]c3cc(C(F)(F)F)c([N+](=O)[O-])cc3n2n1	ZINC000013532635	211572902	/nfs/dbraw/zinc/57/29/02/211572902.db2.gz	PXDCYTGCVDDVAK-UHFFFAOYSA-N	-1	0	343.177	1.608	1	5		EDBFRM
Cc1onc2c1c(-c1ccccc1[N+](=O)[O-])nn(CC(=O)[O-])c2=O	ZINC000013797630	201915853	/nfs/dbraw/zinc/91/58/53/201915853.db2.gz	QKRXBTURZQETBQ-UHFFFAOYSA-N	-1	0	330.256	1.353	1	5		EDBFRM
CC(C)[C@@H](NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-]	ZINC000027557391	202157468	/nfs/dbraw/zinc/15/74/68/202157468.db2.gz	REPMCDBPJIMPMO-GFCCVEGCSA-N	-1	0	333.300	1.484	1	5		EDBFRM
CCn1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(N3CCCC3)nc21	ZINC000026823718	202149505	/nfs/dbraw/zinc/14/95/05/202149505.db2.gz	XBTVUNIXCDIPJB-UHFFFAOYSA-N	-1	0	332.316	1.623	1	5		EDBFRM
C/C(=C\c1cccc([N+](=O)[O-])c1)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@@H]1CC(=O)[O-]	ZINC000027642989	202159052	/nfs/dbraw/zinc/15/90/52/202159052.db2.gz	JQTQQGYAYKWJJZ-FGLZGMLISA-N	-1	0	334.328	1.762	1	5		EDBFRM
C/C(=C/c1cccc([N+](=O)[O-])c1)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@@H]1CC(=O)[O-]	ZINC000027632411	202158630	/nfs/dbraw/zinc/15/86/30/202158630.db2.gz	JQTQQGYAYKWJJZ-SXXGOERESA-N	-1	0	334.328	1.762	1	5		EDBFRM
COc1cc(C(=O)Nc2nnn[n-]2)nc(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000029317731	202184508	/nfs/dbraw/zinc/18/45/08/202184508.db2.gz	MJUGQQDMMGFRET-UHFFFAOYSA-N	-1	0	341.287	1.431	1	5		EDBFRM