smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	ZINC000040504497	174301018	/nfs/dbraw/zinc/30/10/18/174301018.db2.gz	URMHRVFGKUAVMV-UHFFFAOYSA-N	-1	0	293.260	1.741	1	5		CDBFRM
O=C([O-])c1cc([N+](=O)[O-])cc2c(=O)c3c[nH]ccc-3nc12	ZINC000005594601	170117581	/nfs/dbraw/zinc/11/75/81/170117581.db2.gz	YUBVMQQPGYAMEU-UHFFFAOYSA-N	-1	0	285.215	1.683	1	5		CDBFRM
Nc1nc(-c2cccc([N+](=O)[O-])c2)c(Cl)c(=O)[n-]1	ZINC000013907133	170607501	/nfs/dbraw/zinc/60/75/01/170607501.db2.gz	JDGIGSRWNIWEDC-UHFFFAOYSA-N	-1	0	266.644	1.581	1	5		CDBFRM
CCn1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(C)nc21	ZINC000006425981	170200540	/nfs/dbraw/zinc/20/05/40/170200540.db2.gz	GRHQCKINCPHEAH-UHFFFAOYSA-N	-1	0	277.236	1.331	1	5		CDBFRM
CCn1c2ccccc2c2oc(=O)cc([O-])c2c1=O	ZINC000008672316	170344570	/nfs/dbraw/zinc/34/45/70/170344570.db2.gz	PLZXRYWAZMOZCA-UHFFFAOYSA-N	-1	0	257.245	1.833	1	5		CDBFRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ncc([N+](=O)[O-])s1	ZINC000036386623	172628950	/nfs/dbraw/zinc/62/89/50/172628950.db2.gz	MBBBYTSYHZTASW-RNFRBKRXSA-N	-1	0	299.308	1.881	3	5		CDBFRM
Cc1cc(=O)n(CC(=O)[O-])c2ccc([N+](=O)[O-])cc12	ZINC000026147961	581091641	/nfs/dbraw/zinc/09/16/41/581091641.db2.gz	KHOABLVWXDWXPC-UHFFFAOYSA-N	-1	0	262.221	1.303	1	5		CDBFRM
CC(=O)Nc1ccc(C(=O)[O-])cc1CC[N+](=O)[O-]	ZINC000003591753	169900046	/nfs/dbraw/zinc/90/00/46/169900046.db2.gz	MOSSPTSCEXMSPA-UHFFFAOYSA-N	-1	0	252.226	1.162	1	5		CDBFRM
Nc1[n-]n2c(nc(-c3ccc(F)cc3)cc2=O)c1[N+](=O)[O-]	ZINC000028347890	171556877	/nfs/dbraw/zinc/55/68/77/171556877.db2.gz	WUNYFFVYDLXAJU-UHFFFAOYSA-N	-1	0	289.226	1.731	1	5		CDBFRM
O=C([O-])c1cn2c(n1)COc1ccc([N+](=O)[O-])cc1-2	ZINC000040632496	174358817	/nfs/dbraw/zinc/35/88/17/174358817.db2.gz	OMGZFXFNYLTIOJ-UHFFFAOYSA-N	-1	0	261.193	1.371	1	5		CDBFRM
CC1(C)C[C@@](O)(CC(=O)[O-])c2cc([N+](=O)[O-])ccc2O1	ZINC000013456235	170551956	/nfs/dbraw/zinc/55/19/56/170551956.db2.gz	BKRDNNYPPJENDC-ZDUSSCGKSA-N	-1	0	281.264	1.818	1	5		CDBFRM
O=c1c2nonc2c2nn(-c3ccccc3)[n-]c-2c1[N+](=O)[O-]	ZINC000006575945	170214625	/nfs/dbraw/zinc/21/46/25/170214625.db2.gz	SHOLTNAKNPDSFG-UHFFFAOYSA-N	-1	0	298.218	1.571	1	5		CDBFRM
O=C([O-])c1cc(O)cc2nc3c(=O)cccc-3[nH]c21	ZINC000005162042	560201118	/nfs/dbraw/zinc/20/11/18/560201118.db2.gz	GWSIQHUBLBTSBD-UHFFFAOYSA-N	-1	0	256.217	1.432	1	5	in-vitro	CDBFRM
CCCOc1cc([N+](=O)[O-])ccc1[N-]S(C)(=O)=O	ZINC000013681999	276267511	/nfs/dbraw/zinc/26/75/11/276267511.db2.gz	GUPXOWXEFMIHHE-UHFFFAOYSA-N	-1	0	274.298	1.755	1	5	in-vivo	CDBFRM
COc1cccc2c1oc1nc(N)c(C(=O)[O-])cc1c2=O	ZINC000027642136	171525873	/nfs/dbraw/zinc/52/58/73/171525873.db2.gz	SFTWAOHGFMFBOC-UHFFFAOYSA-N	-1	0	286.243	1.630	1	5		CDBFRM
C[N+](C)(C)CCc1c[nH]c2cccc(OP(=O)([O-])[O-])c12	ZINC000014448386	717110229	/nfs/dbraw/zinc/11/02/29/717110229.db2.gz	OIIPFLWAQQNCHA-UHFFFAOYSA-O	-1	0	299.287	1.888	1	5		CDBFRM
Cc1cc2c(cc1F)[n+]([O-])c1ccc([O-])cc1[n+]2[O-]	ZINC000102413850	185777498	/nfs/dbraw/zinc/77/74/98/185777498.db2.gz	VQSPSEXAYZLBNK-UHFFFAOYSA-N	-1	0	260.224	1.413	1	5		CDBFRM
Cn1c(/C=C(\Oc2ccccc2)C(=O)[O-])ncc1[N+](=O)[O-]	ZINC000005116519	170067640	/nfs/dbraw/zinc/06/76/40/170067640.db2.gz	SZFKMKKCZHBKOU-YFHOEESVSA-N	-1	0	289.247	1.833	1	5		CDBFRM
O=c1cc([O-])oc2c3cccc4c3n(c(=O)c12)CCC4	ZINC000002476064	169793767	/nfs/dbraw/zinc/79/37/67/169793767.db2.gz	WITCCGMNVUHHBV-UHFFFAOYSA-N	-1	0	269.256	1.760	1	5		CDBFRM
[O-]c1ccc2c(c1)[n+]([O-])c1ccc(Cl)cc1[n+]2[O-]	ZINC000005700969	170130983	/nfs/dbraw/zinc/13/09/83/170130983.db2.gz	FVEZRGZDRSAZHG-UHFFFAOYSA-N	-1	0	262.652	1.619	1	5		CDBFRM
O=C([O-])c1nc2cc(F)c([N+](=O)[O-])cc2[nH]c1=O	ZINC000013553629	170561359	/nfs/dbraw/zinc/56/13/59/170561359.db2.gz	RPJMKIJTRRYIHC-UHFFFAOYSA-N	-1	0	253.145	1.081	1	5		CDBFRM
Cc1cc2c(cc1[N+](=O)[O-])[C@](O)(CC(=O)[O-])C[C@@H](C)O2	ZINC000013456164	170551402	/nfs/dbraw/zinc/55/14/02/170551402.db2.gz	WUVVCZBFNZDXOK-AMIZOPFISA-N	-1	0	281.264	1.737	1	5		CDBFRM
O=C([O-])c1cc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]c1=O	ZINC000013745407	581102085	/nfs/dbraw/zinc/10/20/85/581102085.db2.gz	JCJAMOOQVNCTJP-UHFFFAOYSA-N	-1	0	279.164	1.043	1	5		CDBFRM
NC(=O)c1[nH]nnc1[N-]c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000039155078	174164906	/nfs/dbraw/zinc/16/49/06/174164906.db2.gz	GKUQTHCPAQYZRC-UHFFFAOYSA-N	-1	0	282.647	1.209	1	5		CDBFRM
O=c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c(=S)[n-]1	ZINC000072123359	176320257	/nfs/dbraw/zinc/32/02/57/176320257.db2.gz	QQQORQMQUJFLBG-UHFFFAOYSA-N	-1	0	250.239	1.029	1	5		CDBFRM