smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)(C(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000593919962	345552138	/nfs/dbraw/zinc/55/21/38/345552138.db2.gz	BRFWMPHKJWCIGN-UHFFFAOYSA-N	-1	2	296.279	2.130	20	5		CEBDLM
C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1	ZINC000565144081	377570648	/nfs/dbraw/zinc/57/06/48/377570648.db2.gz	XDBBPTOQNDQFTL-HAQNSBGRSA-N	-1	2	280.324	2.036	20	5		CEBDLM
CSc1nc(O[C@@H](C)C2=CC=C[CH]2)c([N+](=O)[O-])c(=O)[nH]1	ZINC001227624988	805960447	/nfs/dbraw/zinc/96/04/47/805960447.db2.gz	LRVQBHROXGOEII-ZETCQYMHSA-N	-1	2	294.312	2.280	20	5		CEBDLM
O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839717494	644791090	/nfs/dbraw/zinc/79/10/90/644791090.db2.gz	NMJGDVOZLPLDGA-SVGQVSJJSA-N	-1	2	291.090	2.303	20	5		CEBDLM
CC(C)Cc1nnc(-c2cc([N+](=O)[O-])c(O)cc2[O-])o1	ZINC001256503487	814464187	/nfs/dbraw/zinc/46/41/87/814464187.db2.gz	ZKAUXKSNZGQBMB-UHFFFAOYSA-N	-1	2	279.252	2.255	20	5		CEBDLM
O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(CO)CCCCC1	ZINC000611461692	347781235	/nfs/dbraw/zinc/78/12/35/347781235.db2.gz	GCZCTNVBNYLJJU-UHFFFAOYSA-N	-1	2	280.324	2.085	20	5		CEBDLM
COc1cc(C[NH2+]Cc2ccco2)c([N+](=O)[O-])cc1O	ZINC000101588726	364565136	/nfs/dbraw/zinc/56/51/36/364565136.db2.gz	ZKNPVHIGCXEIDY-UHFFFAOYSA-N	-1	2	278.264	2.192	20	5		CEBDLM
CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C	ZINC000225798118	189765036	/nfs/dbraw/zinc/76/50/36/189765036.db2.gz	XUNARDQRKXBHQW-UHFFFAOYSA-N	-1	2	252.270	2.171	20	5		CEBDLM
O=C([O-])/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccncc1	ZINC000739491005	574920892	/nfs/dbraw/zinc/92/08/92/574920892.db2.gz	UJVGMVBYTSSDRE-YRNVUSSQSA-N	-1	2	286.243	2.321	20	5		CEBDLM
CC(C)(CC(=O)[O-])CC(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000029004429	278598373	/nfs/dbraw/zinc/59/83/73/278598373.db2.gz	YXTFTVPULJFOLR-UHFFFAOYSA-N	-1	2	296.279	2.130	20	5		CEBDLM
O=C([O-])/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccncc1	ZINC000739490371	574920762	/nfs/dbraw/zinc/92/07/62/574920762.db2.gz	MYMMOJGICRELMI-YRNVUSSQSA-N	-1	2	286.243	2.321	20	5		CEBDLM
CO[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1	ZINC000611984179	347831529	/nfs/dbraw/zinc/83/15/29/347831529.db2.gz	PDLCLODNCKEJJI-ZDUSSCGKSA-N	-1	2	280.324	2.301	20	5		CEBDLM
O=C([O-])/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1ccncc1	ZINC000739490368	574920849	/nfs/dbraw/zinc/92/08/49/574920849.db2.gz	MYMMOJGICRELMI-XFFZJAGNSA-N	-1	2	286.243	2.321	20	5		CEBDLM
O=C([O-])/C(=C\c1ccc([N+](=O)[O-])c(O)c1)c1ccncc1	ZINC000739491003	574920845	/nfs/dbraw/zinc/92/08/45/574920845.db2.gz	UJVGMVBYTSSDRE-XFFZJAGNSA-N	-1	2	286.243	2.321	20	5		CEBDLM
CSc1nc(O[C@H](C)C2=CC=C[CH]2)c([N+](=O)[O-])c(=O)[nH]1	ZINC001227624980	805960325	/nfs/dbraw/zinc/96/03/25/805960325.db2.gz	LRVQBHROXGOEII-SSDOTTSWSA-N	-1	2	294.312	2.280	20	5		CEBDLM
O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839718480	644790755	/nfs/dbraw/zinc/79/07/55/644790755.db2.gz	QPGPDJQYDALLLB-SVGQVSJJSA-N	-1	2	291.090	2.303	20	5		CEBDLM
CO[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1	ZINC000611984177	347831410	/nfs/dbraw/zinc/83/14/10/347831410.db2.gz	PDLCLODNCKEJJI-CYBMUJFWSA-N	-1	2	280.324	2.301	20	5		CEBDLM
C[C@@H](CO)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1	ZINC000339108621	394944272	/nfs/dbraw/zinc/94/42/72/394944272.db2.gz	QXNBNNSIVFBCFQ-NSHDSACASA-N	-1	2	294.351	2.426	20	5		CEBDLM
O=C([O-])/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1ccncc1	ZINC000833164667	604772298	/nfs/dbraw/zinc/77/22/98/604772298.db2.gz	ZXJGMNJUAMFDFA-WQLSENKSSA-N	-1	2	286.243	2.321	20	5		CEBDLM