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-])c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCCCC1	ZINC000256048124	354388426	/nfs/dbraw/zinc/38/84/26/354388426.db2.gz	QWDILUOBWASNBP-UHFFFAOYSA-N	-1	0	317.305	1.864	40	5		DDBBRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]2C=C[C@@H]1O2	ZINC000225603515	186282144	/nfs/dbraw/zinc/28/21/44/186282144.db2.gz	JMXOQCQHCGXZBB-NOOOWODRSA-N	-1	0	304.258	1.188	40	5		DDBBRM
CC(C)(C)OC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000115638549	353987223	/nfs/dbraw/zinc/98/72/23/353987223.db2.gz	KURDKBAAQRGXSB-UHFFFAOYSA-N	-1	0	302.308	1.808	40	5		DDBBRM
CCCN1C(=O)N/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409250122	418812091	/nfs/dbraw/zinc/81/20/91/418812091.db2.gz	WCIFLYQAVJJLCV-WEVVVXLNSA-N	-1	0	321.289	1.612	40	5		DDBBRM
COC(=O)CSc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004293442	181093876	/nfs/dbraw/zinc/09/38/76/181093876.db2.gz	YBTNNHYRVTXZIZ-UHFFFAOYSA-N	-1	0	316.247	1.466	40	5		DDBBRM
COC(=O)c1ccc(C=Cc2nc(N)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000006621530	181361621	/nfs/dbraw/zinc/36/16/21/181361621.db2.gz	SHFNZXFBCLMWQY-QPJJXVBHSA-N	-1	0	316.273	1.217	40	5		DDBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1C	ZINC000032687750	406951434	/nfs/dbraw/zinc/95/14/34/406951434.db2.gz	LTLQRQHFHZSCEN-WAYWQWQTSA-N	-1	0	303.274	1.871	40	5		DDBBRM
Cn1c(SCC(=O)[O-])nnc1-c1cc([N+](=O)[O-])ccc1F	ZINC000228925294	257214630	/nfs/dbraw/zinc/21/46/30/257214630.db2.gz	LFGHUOXSYZUNSM-UHFFFAOYSA-N	-1	0	312.282	1.706	40	5		DDBBRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]2C=C[C@@H]1O2	ZINC000003900107	181055144	/nfs/dbraw/zinc/05/51/44/181055144.db2.gz	XGHKLCSMNZGIHH-RHYQMDGZSA-N	-1	0	322.248	1.327	40	5		DDBBRM
O=c1[nH]c(SCc2ccccc2[N+](=O)[O-])nc2[nH]cnc21	ZINC000001707837	406675179	/nfs/dbraw/zinc/67/51/79/406675179.db2.gz	NJLOUSIFCRNUHD-UHFFFAOYSA-N	-1	0	303.303	1.847	40	5	in-vitro	DDBBRM
C[C@@H](Cn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1)C(=O)[O-]	ZINC000408715282	418810437	/nfs/dbraw/zinc/81/04/37/418810437.db2.gz	AMXXQMGERZSYGD-LURJTMIESA-N	-1	0	311.216	1.843	40	5		DDBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC)C2=O)c1[O-]	ZINC000409245390	418812333	/nfs/dbraw/zinc/81/23/33/418812333.db2.gz	SBZMWINKIVTSKB-UXBLZVDNSA-N	-1	0	321.289	1.612	40	5		DDBBRM
CCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1=O	ZINC000082462127	192364225	/nfs/dbraw/zinc/36/42/25/192364225.db2.gz	VRBKFFZCYRLGLE-UHFFFAOYSA-N	-1	0	303.274	1.927	40	5		DDBBRM
C[N+](C)(C)C[C@@H](OP(=O)([O-])[O-])c1ccc([N+](=O)[O-])cc1	ZINC000113257923	353977225	/nfs/dbraw/zinc/97/72/25/353977225.db2.gz	VALAFOXMZIGEOF-LLVKDONJSA-O	-1	0	305.247	1.451	40	5		DDBBRM
O=C([O-])CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000076945741	304057339	/nfs/dbraw/zinc/05/73/39/304057339.db2.gz	PKEVWPSTYFQXQH-UHFFFAOYSA-N	-1	0	300.183	1.298	40	5	in-vitro	DDBBRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@H]2C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000409376372	418813021	/nfs/dbraw/zinc/81/30/21/418813021.db2.gz	XQOANHGRMVLMEQ-YXMPFFBPSA-N	-1	0	318.285	1.578	40	5		DDBBRM
CSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])o1)CC(C(=O)[O-])=N2	ZINC000102335769	407322001	/nfs/dbraw/zinc/32/20/01/407322001.db2.gz	QFUQAGJJXSFGPQ-LURJTMIESA-N	-1	0	323.290	1.485	40	5		DDBBRM
COc1cccc(-c2nnc(SCC(=O)[O-])n2C)c1[N+](=O)[O-]	ZINC000228931011	257214527	/nfs/dbraw/zinc/21/45/27/257214527.db2.gz	RCCOMXUSGYVLNP-UHFFFAOYSA-N	-1	0	324.318	1.576	40	5		DDBBRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2cccc([N+](=O)[O-])c2)n1	ZINC000225966750	407613177	/nfs/dbraw/zinc/61/31/77/407613177.db2.gz	IXQGUKSQARFBNL-UHFFFAOYSA-N	-1	0	303.230	1.042	40	5		DDBBRM
CCN(CC)c1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000256046877	354388351	/nfs/dbraw/zinc/38/83/51/354388351.db2.gz	IPTQXVKIHRWJBS-UHFFFAOYSA-N	-1	0	305.294	1.720	40	5		DDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc([N+](=O)[O-])c2)[nH]1	ZINC000013124261	406859382	/nfs/dbraw/zinc/85/93/82/406859382.db2.gz	VFQZTECEWXARRE-SNAWJCMRSA-N	-1	0	304.218	1.050	40	5		DDBBRM
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@](C)(C(=O)[O-])C1	ZINC000071979622	406871696	/nfs/dbraw/zinc/87/16/96/406871696.db2.gz	RVOHUBGQGUALGH-AWEZNQCLSA-N	-1	0	321.289	1.567	40	5		DDBBRM
CCOC(=O)C(C(=O)OCC)=C([O-])c1ccccc1[N+](=O)[O-]	ZINC000005324945	181229762	/nfs/dbraw/zinc/22/97/62/181229762.db2.gz	LXZPRMYHTALASD-UHFFFAOYSA-N	-1	0	309.274	1.520	40	5		DDBBRM
COC(=O)c1ccc(O)c2[n-]c3c(C=O)c(=O)cc(O)c-3nc12	ZINC000013130211	292014418	/nfs/dbraw/zinc/01/44/18/292014418.db2.gz	CRANETCJDDEINO-UHFFFAOYSA-N	-1	0	314.253	1.499	40	5	in-man	DDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc([N+](=O)[O-])c2)[nH]1	ZINC000033922007	406962733	/nfs/dbraw/zinc/96/27/33/406962733.db2.gz	VFQZTECEWXARRE-PLNGDYQASA-N	-1	0	304.218	1.462	40	5		DDBBRM
CC(C)(C(=O)[O-])n1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	ZINC000408715267	418810564	/nfs/dbraw/zinc/81/05/64/418810564.db2.gz	AJTQXGZHJYHWLB-UHFFFAOYSA-N	-1	0	311.216	1.942	40	5		DDBBRM
CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C1=O	ZINC000409168284	418812132	/nfs/dbraw/zinc/81/21/32/418812132.db2.gz	PTJNVPUQLIRQLD-WEVVVXLNSA-N	-1	0	307.262	1.222	40	5		DDBBRM
O=C([O-])C1=Nc2ncnn2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000102243642	304035783	/nfs/dbraw/zinc/03/57/83/304035783.db2.gz	KFGLJPBZFCPSGS-SNVBAGLBSA-N	-1	0	321.680	1.823	40	5		DDBBRM
CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@](C)(C(=O)[O-])C1	ZINC000071979528	184918275	/nfs/dbraw/zinc/91/82/75/184918275.db2.gz	DQPMQWVAIMDGQO-AWEZNQCLSA-N	-1	0	321.289	1.567	40	5		DDBBRM
NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl	ZINC000003954390	303442324	/nfs/dbraw/zinc/44/23/24/303442324.db2.gz	QRKBZGTWECLWEP-UHFFFAOYSA-N	-1	0	315.090	1.247	40	5	in-vitro	DDBBRM
O=C([O-])c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCCC1	ZINC000256047241	354388642	/nfs/dbraw/zinc/38/86/42/354388642.db2.gz	LICRQBIYEHTMFS-UHFFFAOYSA-N	-1	0	303.278	1.474	40	5		DDBBRM
CCN1CCN(c2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000026508801	285338056	/nfs/dbraw/zinc/33/80/56/285338056.db2.gz	UEJKLVRZWJKTME-UHFFFAOYSA-N	-1	0	324.293	1.343	40	5		DDBBRM
CC(C)Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000006307166	352116361	/nfs/dbraw/zinc/11/63/61/352116361.db2.gz	GDNOZCUEYIBEHY-VMPITWQZSA-N	-1	0	317.301	1.929	40	5		DDBBRM
O=C([O-])CCc1cnc(COc2ccccc2[N+](=O)[O-])[nH]c1=O	ZINC000223444917	407569858	/nfs/dbraw/zinc/56/98/58/407569858.db2.gz	YIQFBKHAHQLVER-UHFFFAOYSA-N	-1	0	319.273	1.274	40	5		DDBBRM
CCN1C(=O)N/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409228542	418812562	/nfs/dbraw/zinc/81/25/62/418812562.db2.gz	BJAVJYNJPCQMKS-XBXARRHUSA-N	-1	0	307.262	1.222	40	5		DDBBRM
Cc1nc(COc2ccccc2[N+](=O)[O-])[nH]c(=O)c1CC(=O)[O-]	ZINC000217392611	407502209	/nfs/dbraw/zinc/50/22/09/407502209.db2.gz	QXIQEIQXMJCFON-UHFFFAOYSA-N	-1	0	319.273	1.193	40	5		DDBBRM
COCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000409122973	418812645	/nfs/dbraw/zinc/81/26/45/418812645.db2.gz	CVSSKCBVUXXWBE-YRNVUSSQSA-N	-1	0	324.314	1.983	40	5		DDBBRM
O=C([O-])/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000032625363	406950520	/nfs/dbraw/zinc/95/05/20/406950520.db2.gz	MCLRKHYYVRAFFL-ARJAWSKDSA-N	-1	0	315.079	1.937	40	5		DDBBRM
CCN1C(=O)C(=Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)NC1=S	ZINC000016681429	182057524	/nfs/dbraw/zinc/05/75/24/182057524.db2.gz	SWSORQAIBZZMHC-YWEYNIOJSA-N	-1	0	323.330	1.798	40	5		DDBBRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@H]2C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000409376370	297928313	/nfs/dbraw/zinc/92/83/13/297928313.db2.gz	XQOANHGRMVLMEQ-FJJYHAOUSA-N	-1	0	318.285	1.578	40	5		DDBBRM
COCCN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409140236	418812484	/nfs/dbraw/zinc/81/24/84/418812484.db2.gz	QBCPVIYSIPKYBH-YRNVUSSQSA-N	-1	0	324.314	1.983	40	5		DDBBRM
Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])s1	ZINC000011613909	406829486	/nfs/dbraw/zinc/82/94/86/406829486.db2.gz	TXTQWYVAUQBFRS-UHFFFAOYSA-N	-1	0	308.275	1.705	40	5		DDBBRM
Nc1c(C(=O)[O-])cc(I)cc1[N+](=O)[O-]	ZINC000071255744	406835035	/nfs/dbraw/zinc/83/50/35/406835035.db2.gz	YQSZKBWEUQFLAM-UHFFFAOYSA-N	-1	0	308.031	1.480	40	5		DDBBRM
CCOC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000008732324	181580224	/nfs/dbraw/zinc/58/02/24/181580224.db2.gz	VIBFZTRNCFMRDF-UHFFFAOYSA-N	-1	0	310.262	1.575	40	5		DDBBRM
CSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])o1)CC(C(=O)[O-])=N2	ZINC000102335772	407322148	/nfs/dbraw/zinc/32/21/48/407322148.db2.gz	QFUQAGJJXSFGPQ-ZCFIWIBFSA-N	-1	0	323.290	1.485	40	5		DDBBRM
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-]	ZINC000006925860	304719770	/nfs/dbraw/zinc/71/97/70/304719770.db2.gz	MFFLPLZYIUINHA-XXHBBNRNSA-N	-1	0	302.286	1.836	40	5		DDBBRM
COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(C)C2=O)c1[O-]	ZINC000005718583	181276405	/nfs/dbraw/zinc/27/64/05/181276405.db2.gz	RFYVPCMGOLRYPE-WTKPLQERSA-N	-1	0	310.287	1.975	40	5		DDBBRM
Nc1nc(-c2cccc([N+](=O)[O-])c2)c(Br)c(=O)[n-]1	ZINC000016952196	283683401	/nfs/dbraw/zinc/68/34/01/283683401.db2.gz	FTRWXOPDEGKEOI-UHFFFAOYSA-N	-1	0	311.095	1.690	40	5		DDBBRM
COC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000216931864	484141957	/nfs/dbraw/zinc/14/19/57/484141957.db2.gz	FJVVPHLTWGAZCP-UHFFFAOYSA-N	-1	0	308.290	1.682	40	5		DDBBRM
O=C([O-])/C=C\C(=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])o1	ZINC000215868110	407490775	/nfs/dbraw/zinc/49/07/75/407490775.db2.gz	HPDBLOYEWIKJEP-WAYWQWQTSA-N	-1	0	304.218	1.224	40	5		DDBBRM
Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)cc1[N+](=O)[O-]	ZINC000197189101	539263792	/nfs/dbraw/zinc/26/37/92/539263792.db2.gz	MGXPBFSXDVZTQW-RNJOBUHISA-N	-1	0	318.285	1.496	40	5		DDBBRM
O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])S1	ZINC000214305826	354311945	/nfs/dbraw/zinc/31/19/45/354311945.db2.gz	PSCMVAFVPUMLHV-FARCUNLSSA-N	-1	0	311.231	1.533	40	5		DDBBRM
COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036239918	406978515	/nfs/dbraw/zinc/97/85/15/406978515.db2.gz	LXSBXBVWLRHDAV-NSHDSACASA-N	-1	0	323.330	1.266	40	5		DDBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1O	ZINC000033406457	406960460	/nfs/dbraw/zinc/96/04/60/406960460.db2.gz	SYBADKLGVUVOEI-RQOWECAXSA-N	-1	0	305.246	1.268	40	5		DDBBRM
C[C@H](Cn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1)C(=O)[O-]	ZINC000408715283	418810780	/nfs/dbraw/zinc/81/07/80/418810780.db2.gz	AMXXQMGERZSYGD-ZCFIWIBFSA-N	-1	0	311.216	1.843	40	5		DDBBRM
CCN(CC)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-]	ZINC000256046155	354388731	/nfs/dbraw/zinc/38/87/31/354388731.db2.gz	DDJWGFYSOHCCQB-UHFFFAOYSA-N	-1	0	305.294	1.720	40	5		DDBBRM
COc1cc(OC)nc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])n1	ZINC000408712849	418810805	/nfs/dbraw/zinc/81/08/05/418810805.db2.gz	WUOKZIQAZBQONS-UHFFFAOYSA-N	-1	0	320.261	1.844	40	5		DDBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(C)C2=O)c1[O-]	ZINC000409192275	418812162	/nfs/dbraw/zinc/81/21/62/418812162.db2.gz	WEECSDZQBICAKH-WEVVVXLNSA-N	-1	0	307.262	1.222	40	5		DDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2[N+](=O)[O-])[nH]1	ZINC000033629136	406963325	/nfs/dbraw/zinc/96/33/25/406963325.db2.gz	GYPFQPJIWFHBNP-WAYWQWQTSA-N	-1	0	304.218	1.462	40	5		DDBBRM
O=C(C=C([O-])c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1	ZINC000102956909	407329005	/nfs/dbraw/zinc/32/90/05/407329005.db2.gz	AEABMSGGISPNLY-UHFFFAOYSA-N	-1	0	319.298	1.832	40	5		DDBBRM
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000003061383	406712196	/nfs/dbraw/zinc/71/21/96/406712196.db2.gz	RGWFJTHQDNSBGG-UHFFFAOYSA-N	-1	0	321.314	1.495	40	5		DDBBRM
CCOC(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000034776396	406965582	/nfs/dbraw/zinc/96/55/82/406965582.db2.gz	IJJRQEMITZGAMI-WAYWQWQTSA-N	-1	0	308.246	1.351	40	5		DDBBRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]2C=C[C@@H]1O2	ZINC000222236633	201604298	/nfs/dbraw/zinc/60/42/98/201604298.db2.gz	XGHKLCSMNZGIHH-NOOOWODRSA-N	-1	0	322.248	1.327	40	5		DDBBRM
O=C([O-])c1ccc(OCC(=O)NCc2ccco2)c([N+](=O)[O-])c1	ZINC000013053757	181825887	/nfs/dbraw/zinc/82/58/87/181825887.db2.gz	KUVLRXWJHGRAPL-UHFFFAOYSA-N	-1	0	320.257	1.581	40	5		DDBBRM
Nc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])n1	ZINC000005642299	406735286	/nfs/dbraw/zinc/73/52/86/406735286.db2.gz	HRHVSNHNKWRUEY-UHFFFAOYSA-N	-1	0	308.275	1.522	40	5		DDBBRM
O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)NCc2ccco2)c1	ZINC000013187249	406860085	/nfs/dbraw/zinc/86/00/85/406860085.db2.gz	YTIFIGRBHOQPPG-UHFFFAOYSA-N	-1	0	320.257	1.581	40	5		DDBBRM
O=C([O-])c1nn(-c2ncccc2Br)nc1[N+](=O)[O-]	ZINC000089263463	304285095	/nfs/dbraw/zinc/28/50/95/304285095.db2.gz	BJIBHGBLVAZGKM-UHFFFAOYSA-N	-1	0	314.055	1.031	40	5		DDBBRM
O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-]	ZINC000012436935	280321327	/nfs/dbraw/zinc/32/13/27/280321327.db2.gz	OWIRASZRJZHFER-GRUGVGOFSA-N	-1	0	300.270	1.612	40	5		DDBBRM
O=C([O-])c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCCCC1	ZINC000256047728	354388407	/nfs/dbraw/zinc/38/84/07/354388407.db2.gz	OEVXWANLSVHSJZ-UHFFFAOYSA-N	-1	0	317.305	1.864	40	5		DDBBRM
Cn1c(SCCC(=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000004966563	181180734	/nfs/dbraw/zinc/18/07/34/181180734.db2.gz	CJHLRAQZQMOLRF-UHFFFAOYSA-N	-1	0	308.319	1.957	40	5		DDBBRM
O=C([O-])[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000006665471	304113010	/nfs/dbraw/zinc/11/30/10/304113010.db2.gz	ILUIVNFRFIAWLJ-JTQLQIEISA-N	-1	0	309.234	1.192	40	5		DDBBRM
CS(=O)(=O)c1ccc([N+](=O)[O-])c(NCCCC(=O)[O-])c1	ZINC000004372125	181103389	/nfs/dbraw/zinc/10/33/89/181103389.db2.gz	XFXSYGNHDVPFPF-UHFFFAOYSA-N	-1	0	302.308	1.275	40	5		DDBBRM
O=C([O-])[C@H](Cc1c[nH]cn1)NSc1ccccc1[N+](=O)[O-]	ZINC000016450551	182044909	/nfs/dbraw/zinc/04/49/09/182044909.db2.gz	SOSLVRIJNNVZAY-VIFPVBQESA-N	-1	0	308.319	1.611	40	5		DDBBRM
COc1cc(/C=C2\SC(=O)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408810038	418811204	/nfs/dbraw/zinc/81/12/04/418811204.db2.gz	IGACAGLFNSEKPU-UITAMQMPSA-N	-1	0	310.287	1.975	40	5		DDBBRM
O=[N+]([O-])c1ccc2c(c1)[S@](=O)c1nc([N+](=O)[O-])cnc1[N-]2	ZINC000016940319	406883553	/nfs/dbraw/zinc/88/35/53/406883553.db2.gz	PADQAUGDLBXWOT-OAQYLSRUSA-N	-1	0	307.247	1.517	40	5		DDBBRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000003900104	181055118	/nfs/dbraw/zinc/05/51/18/181055118.db2.gz	XGHKLCSMNZGIHH-KXNHARMFSA-N	-1	0	322.248	1.327	40	5		DDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2[N+](=O)[O-])[nH]1	ZINC000005583296	181260786	/nfs/dbraw/zinc/26/07/86/181260786.db2.gz	GYPFQPJIWFHBNP-AATRIKPKSA-N	-1	0	304.218	1.875	40	5		DDBBRM
CCCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C1=O	ZINC000409228150	418812252	/nfs/dbraw/zinc/81/22/52/418812252.db2.gz	URHWVKUALZUSRI-UXBLZVDNSA-N	-1	0	321.289	1.612	40	5		DDBBRM
Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)[O-]	ZINC000000329083	406640629	/nfs/dbraw/zinc/64/06/29/406640629.db2.gz	CAGKXKWJPWHHEO-UHFFFAOYSA-N	-1	0	324.318	1.479	40	5		DDBBRM
Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)cc1[N+](=O)[O-]	ZINC000222492252	407556089	/nfs/dbraw/zinc/55/60/89/407556089.db2.gz	MGXPBFSXDVZTQW-LOWDOPEQSA-N	-1	0	318.285	1.496	40	5		DDBBRM
O=C([O-])c1nn(-c2ccccc2C(F)(F)F)nc1[N+](=O)[O-]	ZINC000089263455	304284812	/nfs/dbraw/zinc/28/48/12/304284812.db2.gz	HTSUJASRZJEAES-UHFFFAOYSA-N	-1	0	302.168	1.893	40	5		DDBBRM
O=C([O-])c1nn(-c2ccc(Br)cn2)nc1[N+](=O)[O-]	ZINC000089263486	304284452	/nfs/dbraw/zinc/28/44/52/304284452.db2.gz	YHMUSGXPWMDYJG-UHFFFAOYSA-N	-1	0	314.055	1.031	40	5		DDBBRM
O=C([O-])CCCn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	ZINC000408715740	418810380	/nfs/dbraw/zinc/81/03/80/418810380.db2.gz	DBZYNAUHQCYIRW-UHFFFAOYSA-N	-1	0	311.216	1.987	40	5		DDBBRM
O=C([O-])[C@@H](Cc1c[nH]cn1)NSc1ccccc1[N+](=O)[O-]	ZINC000016450549	182045129	/nfs/dbraw/zinc/04/51/29/182045129.db2.gz	SOSLVRIJNNVZAY-SECBINFHSA-N	-1	0	308.319	1.611	40	5		DDBBRM
O=C([N-]N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1[N+](=O)[O-]	ZINC000008475026	352134379	/nfs/dbraw/zinc/13/43/79/352134379.db2.gz	TVARRPZQPCHHLM-NXEZZACHSA-N	-1	0	315.285	1.191	40	5		DDBBRM
O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCCC1	ZINC000256046631	354388763	/nfs/dbraw/zinc/38/87/63/354388763.db2.gz	HEXVQOHVBRQUHF-UHFFFAOYSA-N	-1	0	303.278	1.474	40	5		DDBBRM
CS(=O)(=O)c1cc(Cl)c(/C=C/C(=O)[O-])c([N+](=O)[O-])c1	ZINC000044214757	183398859	/nfs/dbraw/zinc/39/88/59/183398859.db2.gz	OQGHIOZRZOZORX-NSCUHMNNSA-N	-1	0	305.695	1.750	40	5		DDBBRM
CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1	ZINC000071979275	406869975	/nfs/dbraw/zinc/86/99/75/406869975.db2.gz	CXBHXGJZZKXNBX-NSHDSACASA-N	-1	0	307.262	1.177	40	5		DDBBRM
CCn1nc(C(=O)[O-])c(I)c1[N+](=O)[O-]	ZINC000072339434	406881207	/nfs/dbraw/zinc/88/12/07/406881207.db2.gz	FCRBKRAZBBRSRM-UHFFFAOYSA-N	-1	0	311.035	1.114	40	5		DDBBRM
Cc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000006846506	352119212	/nfs/dbraw/zinc/11/92/12/352119212.db2.gz	NMQFQPGLXXDHLN-SNAWJCMRSA-N	-1	0	318.245	1.358	40	5		DDBBRM
O=C([O-])Cc1ccc(I)cc1[N+](=O)[O-]	ZINC000087493268	304088863	/nfs/dbraw/zinc/08/88/63/304088863.db2.gz	BMCBRUHKYQTDHJ-UHFFFAOYSA-N	-1	0	307.043	1.827	40	5		DDBBRM
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1	ZINC000071979369	406871550	/nfs/dbraw/zinc/87/15/50/406871550.db2.gz	JIMJZMQWVJVNRD-NSHDSACASA-N	-1	0	307.262	1.177	40	5		DDBBRM
Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C(=O)[O-])CC1=O	ZINC000045958640	407052197	/nfs/dbraw/zinc/05/21/97/407052197.db2.gz	KOMLTEDPQRBLLE-SNVBAGLBSA-N	-1	0	307.306	1.248	40	5		DDBBRM
O=[N+]([O-])c1ccc2c(c1)[S@@](=O)c1nc([N+](=O)[O-])cnc1[N-]2	ZINC000005486562	304804756	/nfs/dbraw/zinc/80/47/56/304804756.db2.gz	PADQAUGDLBXWOT-NRFANRHFSA-N	-1	0	307.247	1.517	40	5		DDBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1	ZINC000036285935	406978184	/nfs/dbraw/zinc/97/81/84/406978184.db2.gz	FIRQLXFISVKPQI-UHFFFAOYSA-N	-1	0	318.314	1.822	40	5		DDBBRM
CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409236614	418812384	/nfs/dbraw/zinc/81/23/84/418812384.db2.gz	SGNBQCAMOJVQFP-XBXARRHUSA-N	-1	0	322.233	1.121	40	5		DDBBRM
O=C([N-]N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccccc1[N+](=O)[O-]	ZINC000139103499	354125592	/nfs/dbraw/zinc/12/55/92/354125592.db2.gz	TVARRPZQPCHHLM-AOOOYVTPSA-N	-1	0	315.285	1.191	40	5		DDBBRM
CC(=O)Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000409336216	418811972	/nfs/dbraw/zinc/81/19/72/418811972.db2.gz	QZRMKPOPZSQUJI-DAXSKMNVSA-N	-1	0	317.257	1.892	40	5		DDBBRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000005344336	181232105	/nfs/dbraw/zinc/23/21/05/181232105.db2.gz	JMXOQCQHCGXZBB-KXNHARMFSA-N	-1	0	304.258	1.188	40	5		DDBBRM
CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1	ZINC000071979276	406870070	/nfs/dbraw/zinc/87/00/70/406870070.db2.gz	CXBHXGJZZKXNBX-LLVKDONJSA-N	-1	0	307.262	1.177	40	5		DDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)c(Cl)c2)[nH]1	ZINC000032687743	406951026	/nfs/dbraw/zinc/95/10/26/406951026.db2.gz	ZUUNMDBGCNUXNB-IWQZZHSRSA-N	-1	0	309.665	1.913	40	5		DDBBRM
CCc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000005249423	181221906	/nfs/dbraw/zinc/22/19/06/181221906.db2.gz	ZZVQPROPNDJISY-UHFFFAOYSA-N	-1	0	314.348	1.810	40	5		DDBBRM
O=C([O-])Cc1ccc([N+](=O)[O-])cc1I	ZINC000135211058	407991584	/nfs/dbraw/zinc/99/15/84/407991584.db2.gz	BEFNAALHVCXDDU-UHFFFAOYSA-N	-1	0	307.043	1.827	40	5		DDBBRM
COC(=O)CSc1nc(-c2ccc([O-])c([N+](=O)[O-])c2)n[nH]1	ZINC000033849451	406962772	/nfs/dbraw/zinc/96/27/72/406962772.db2.gz	WIZYWMQIOGOGTQ-UHFFFAOYSA-N	-1	0	310.291	1.351	40	5		DDBBRM
COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc([N+](=O)[O-])c1[O-]	ZINC000409044648	418812043	/nfs/dbraw/zinc/81/20/43/418812043.db2.gz	OOIRNKZCOYVSOP-UITAMQMPSA-N	-1	0	323.330	1.339	40	5		DDBBRM
O=C([O-])c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F	ZINC000071405160	331922198	/nfs/dbraw/zinc/92/21/98/331922198.db2.gz	NBIDLPBLWVDCIC-UHFFFAOYSA-N	-1	0	302.168	1.893	40	5		DDBBRM
O=c1nc(OCCO)c([N+](=O)[O-])c(C(Cl)(Cl)Cl)[n-]1	ZINC000017042433	182070932	/nfs/dbraw/zinc/07/09/32/182070932.db2.gz	LKBZSPCJQNITBZ-UHFFFAOYSA-N	-1	0	318.500	1.288	40	5		DDBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=N)NC2=O)c1[O-]	ZINC000013476646	406862319	/nfs/dbraw/zinc/86/23/19/406862319.db2.gz	KIDVZOCPTVFGAW-RUDMXATFSA-N	-1	0	309.303	1.838	40	5		DDBBRM
O=C([O-])c1nn(-c2ccccc2Br)nc1[N+](=O)[O-]	ZINC000089263436	407128159	/nfs/dbraw/zinc/12/81/59/407128159.db2.gz	CVYNIQYZENMCKS-UHFFFAOYSA-N	-1	0	313.067	1.636	40	5		DDBBRM
O=c1nc(-c2ccc([N+](=O)[O-])cc2)oc2cc([O-])oc(=O)c12	ZINC000006225915	406734934	/nfs/dbraw/zinc/73/49/34/406734934.db2.gz	KVJCSBLAEFAGFX-UHFFFAOYSA-N	-1	0	302.198	1.422	40	5		DDBBRM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C(=O)[O-])cnn1C	ZINC000036615507	406980572	/nfs/dbraw/zinc/98/05/72/406980572.db2.gz	ZQVMPDQBXULKIW-UHFFFAOYSA-N	-1	0	320.261	1.287	40	5		DDBBRM
COCCN1C(=O)S/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000409138692	418812215	/nfs/dbraw/zinc/81/22/15/418812215.db2.gz	GPZNABCZBBBDNZ-YRNVUSSQSA-N	-1	0	324.314	1.983	40	5		DDBBRM
O=C([O-])C[C@@H](n1cc(-n2cc([N+](=O)[O-])cn2)cn1)C(F)(F)F	ZINC000685936634	539564973	/nfs/dbraw/zinc/56/49/73/539564973.db2.gz	MLBLAARVUDMOPR-MRVPVSSYSA-N	-1	0	319.199	1.555	40	5		DDBBRM
Cn1c(SCC(=O)[O-])nnc1-c1ccc(F)c([N+](=O)[O-])c1	ZINC000228978504	563944841	/nfs/dbraw/zinc/94/48/41/563944841.db2.gz	MOGFOUQYQKYNEQ-UHFFFAOYSA-N	-1	0	312.282	1.706	40	5		DDBBRM
CC(=O)N(c1cc(=O)n(C(C)=O)[n-]1)c1ccc([N+](=O)[O-])cc1	ZINC000016139027	190641362	/nfs/dbraw/zinc/64/13/62/190641362.db2.gz	POGQQSFZKWPBCV-UHFFFAOYSA-N	-1	0	304.262	1.040	40	5		DDBBRM
CCOc1cc(/C=C2/NC(=S)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000005711742	181275369	/nfs/dbraw/zinc/27/53/69/181275369.db2.gz	RMNLZOIWAYIFCE-XVNBXDOJSA-N	-1	0	309.303	1.044	40	5		DDBBRM
O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-]	ZINC000006925859	406745749	/nfs/dbraw/zinc/74/57/49/406745749.db2.gz	MFFLPLZYIUINHA-OZVVPTBGSA-N	-1	0	302.286	1.836	40	5		DDBBRM
NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000014256868	406875322	/nfs/dbraw/zinc/87/53/22/406875322.db2.gz	WZHSDRZMVLIWSK-UHFFFAOYSA-N	-1	0	321.314	1.495	40	5		DDBBRM
O=C([O-])Cc1c[nH]c(=S)n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000020156353	182193000	/nfs/dbraw/zinc/19/30/00/182193000.db2.gz	GPNLQSWMUFXDQI-UHFFFAOYSA-N	-1	0	307.287	1.430	40	5		DDBBRM
COc1c(I)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000089065431	407122704	/nfs/dbraw/zinc/12/27/04/407122704.db2.gz	RDCHDNBEJITDRO-UHFFFAOYSA-N	-1	0	323.042	1.906	40	5		DDBBRM
O=[N+]([O-])c1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1[O-]	ZINC000409332666	418812360	/nfs/dbraw/zinc/81/23/60/418812360.db2.gz	QWBVOXYCQCMSMC-RQOWECAXSA-N	-1	0	320.217	1.580	40	5		DDBBRM
O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-]	ZINC000004863095	406728397	/nfs/dbraw/zinc/72/83/97/406728397.db2.gz	OWIRASZRJZHFER-OZVVPTBGSA-N	-1	0	300.270	1.612	40	5		DDBBRM
CCCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000006324245	352117049	/nfs/dbraw/zinc/11/70/49/352117049.db2.gz	WRVBFPHHRFAXCI-VMPITWQZSA-N	-1	0	317.301	1.931	40	5		DDBBRM
Cc1cc(=O)[nH]c(Sc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000006160770	181317103	/nfs/dbraw/zinc/31/71/03/181317103.db2.gz	LJFCOOQGQCUESF-UHFFFAOYSA-N	-1	0	307.287	1.836	40	5		DDBBRM
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1	ZINC000071979370	406871589	/nfs/dbraw/zinc/87/15/89/406871589.db2.gz	JIMJZMQWVJVNRD-LLVKDONJSA-N	-1	0	307.262	1.177	40	5		DDBBRM
O=C([O-])CCc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])NC(=O)CC2	ZINC000003845236	304064001	/nfs/dbraw/zinc/06/40/01/304064001.db2.gz	ITVVKYAKCGPQQR-UHFFFAOYSA-N	-1	0	309.234	1.405	40	5		DDBBRM
Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@@H](C(=O)[O-])CC1=O	ZINC000045958642	407051406	/nfs/dbraw/zinc/05/14/06/407051406.db2.gz	KOMLTEDPQRBLLE-JTQLQIEISA-N	-1	0	307.306	1.248	40	5		DDBBRM
O=C([N-]N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1[N+](=O)[O-]	ZINC000139103606	354125609	/nfs/dbraw/zinc/12/56/09/354125609.db2.gz	TVARRPZQPCHHLM-UWVGGRQHSA-N	-1	0	315.285	1.191	40	5		DDBBRM
COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1O	ZINC000004180423	181082688	/nfs/dbraw/zinc/08/26/88/181082688.db2.gz	WHTWQZXNVNSSCA-AATRIKPKSA-N	-1	0	305.246	1.268	40	5		DDBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1NCCCN1CCOCC1	ZINC000314530066	257215627	/nfs/dbraw/zinc/21/56/27/257215627.db2.gz	VSKFSGPNKPKDHG-UHFFFAOYSA-N	-1	0	309.322	1.427	40	5		DDBBRM
O=C([O-])C1=Nc2ncnn2[C@H](c2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000102243636	304035535	/nfs/dbraw/zinc/03/55/35/304035535.db2.gz	KFGLJPBZFCPSGS-JTQLQIEISA-N	-1	0	321.680	1.823	40	5		DDBBRM
Cc1ccc(C)n1N(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000034776648	406965506	/nfs/dbraw/zinc/96/55/06/406965506.db2.gz	VBCHBYZZSFTRQL-UHFFFAOYSA-N	-1	0	317.301	1.876	40	5		DDBBRM
CCOc1cc(/C=C2/SC(=N)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000019312584	182114307	/nfs/dbraw/zinc/11/43/07/182114307.db2.gz	LKJDAYIPRHCNPB-WEVVVXLNSA-N	-1	0	309.303	1.838	40	5		DDBBRM
CCn1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C	ZINC000002806431	406700821	/nfs/dbraw/zinc/70/08/21/406700821.db2.gz	JFEZYZXWOYTAIK-UHFFFAOYSA-N	-1	0	310.335	1.920	40	5		DDBBRM
O=C([O-])CN1C(=O)N/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O	ZINC000408593592	418809705	/nfs/dbraw/zinc/80/97/05/418809705.db2.gz	QLBVBCOOYWXDTL-YBRHCDHNSA-N	-1	0	317.257	1.128	40	5		DDBBRM
COc1ccc(OC)c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1	ZINC000033458597	406961747	/nfs/dbraw/zinc/96/17/47/406961747.db2.gz	GIMLNYJYUGGRPH-HYXAFXHYSA-N	-1	0	319.273	1.571	40	5		DDBBRM
CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@](C)(C(=O)[O-])C1	ZINC000071979527	184917998	/nfs/dbraw/zinc/91/79/98/184917998.db2.gz	DQPMQWVAIMDGQO-CQSZACIVSA-N	-1	0	321.289	1.567	40	5		DDBBRM
CCc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])n1N	ZINC000070462399	406819085	/nfs/dbraw/zinc/81/90/85/406819085.db2.gz	NGLHBBWNWGIJCS-UHFFFAOYSA-N	-1	0	309.307	1.312	40	5		DDBBRM
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@](C)(C(=O)[O-])C1	ZINC000071979621	406871347	/nfs/dbraw/zinc/87/13/47/406871347.db2.gz	RVOHUBGQGUALGH-CQSZACIVSA-N	-1	0	321.289	1.567	40	5		DDBBRM
O=C([O-])c1nn(-c2ccc(Br)cc2)nc1[N+](=O)[O-]	ZINC000089263448	304284382	/nfs/dbraw/zinc/28/43/82/304284382.db2.gz	GITZKGWRPPACMI-UHFFFAOYSA-N	-1	0	313.067	1.636	40	5		DDBBRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000409376365	418812857	/nfs/dbraw/zinc/81/28/57/418812857.db2.gz	XQOANHGRMVLMEQ-BLTAXRJOSA-N	-1	0	318.285	1.578	40	5		DDBBRM
CCN(CC)c1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000256048657	354388766	/nfs/dbraw/zinc/38/87/66/354388766.db2.gz	VEHCTONMAFYMRN-UHFFFAOYSA-N	-1	0	305.294	1.720	40	5		DDBBRM
Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000004641512	181131601	/nfs/dbraw/zinc/13/16/01/181131601.db2.gz	MGXPBFSXDVZTQW-VOAKCMCISA-N	-1	0	318.285	1.496	40	5		DDBBRM
Cc1[nH]c(=S)n(-c2cccc([N+](=O)[O-])c2)c(=O)c1CC(=O)[O-]	ZINC000020156401	182193062	/nfs/dbraw/zinc/19/30/62/182193062.db2.gz	XWJGAOKIBDXJGV-UHFFFAOYSA-N	-1	0	321.314	1.739	40	5		DDBBRM
CCOC(=O)Cc1csc([N-]c2ncnc(N)c2[N+](=O)[O-])n1	ZINC000009391659	406809990	/nfs/dbraw/zinc/80/99/90/406809990.db2.gz	ZNCWGDFMBHHMEF-UHFFFAOYSA-N	-1	0	324.322	1.273	40	5		DDBBRM
Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(Br)c(=O)[n-]1	ZINC000016952198	283683105	/nfs/dbraw/zinc/68/31/05/283683105.db2.gz	SKTZCHQSXXNJRJ-UHFFFAOYSA-N	-1	0	311.095	1.690	40	5		DDBBRM
O=C1NC(=O)[C@](Cc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1	ZINC000001682384	406674660	/nfs/dbraw/zinc/67/46/60/406674660.db2.gz	KGKUFCKQTLRMCX-INIZCTEOSA-N	-1	0	311.297	1.872	40	5		DDBBRM
C[C@@]12C=C[C@@H](O1)[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000409376374	418812862	/nfs/dbraw/zinc/81/28/62/418812862.db2.gz	XQOANHGRMVLMEQ-ZAZJYDDPSA-N	-1	0	318.285	1.578	40	5		DDBBRM
CCn1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C	ZINC000006373247	181334953	/nfs/dbraw/zinc/33/49/53/181334953.db2.gz	CCIFWKKTXRUUJE-UHFFFAOYSA-N	-1	0	310.335	1.920	40	5		DDBBRM
O=C([O-])c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCCCC1	ZINC000256045705	354388379	/nfs/dbraw/zinc/38/83/79/354388379.db2.gz	APATWFLVIVFPTP-UHFFFAOYSA-N	-1	0	317.305	1.864	40	5		DDBBRM
Nn1cnnc1Sc1c(Cl)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000070462480	406818515	/nfs/dbraw/zinc/81/85/15/406818515.db2.gz	DUFPFTGRPCRNST-UHFFFAOYSA-N	-1	0	315.698	1.403	40	5		DDBBRM
CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409245941	418811992	/nfs/dbraw/zinc/81/19/92/418811992.db2.gz	BERHFQRTXTWVFG-WEVVVXLNSA-N	-1	0	321.289	1.612	40	5		DDBBRM
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-]	ZINC000004863096	406730227	/nfs/dbraw/zinc/73/02/27/406730227.db2.gz	OWIRASZRJZHFER-XXHBBNRNSA-N	-1	0	300.270	1.612	40	5		DDBBRM
CCc1nnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1	ZINC000008763919	406796249	/nfs/dbraw/zinc/79/62/49/406796249.db2.gz	FVTCWPICFJAGJX-UHFFFAOYSA-N	-1	0	320.377	1.871	40	5		DDBBRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]2C=C[C@@H]1O2	ZINC000005344337	181232102	/nfs/dbraw/zinc/23/21/02/181232102.db2.gz	JMXOQCQHCGXZBB-RHYQMDGZSA-N	-1	0	304.258	1.188	40	5		DDBBRM
CCn1nc([N+](=O)[O-])c(I)c1C(=O)[O-]	ZINC000072339428	191125925	/nfs/dbraw/zinc/12/59/25/191125925.db2.gz	VBYVMRVQTIFLAM-UHFFFAOYSA-N	-1	0	311.035	1.114	40	5		DDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([N+](=O)[O-])s2)[nH]1	ZINC000033601616	352290783	/nfs/dbraw/zinc/29/07/83/352290783.db2.gz	QLADZAQFWRUDFX-HNQUOIGGSA-N	-1	0	310.247	1.524	40	5		DDBBRM
O=C([O-])c1n[nH]c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000104189003	304282931	/nfs/dbraw/zinc/28/29/31/304282931.db2.gz	XXCYBPXAVQZNBR-UHFFFAOYSA-N	-1	0	323.177	1.500	40	5		DDBBRM
CCCCOC(=O)CNC(=O)c1ccc(C)c([O-])c1[N+](=O)[O-]	ZINC000001712152	406677896	/nfs/dbraw/zinc/67/78/96/406677896.db2.gz	XQEITWNCPWQIJW-UHFFFAOYSA-N	-1	0	310.306	1.682	40	5		DDBBRM
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2C)[C@@H](C(=O)[O-])C1	ZINC000071979412	406871892	/nfs/dbraw/zinc/87/18/92/406871892.db2.gz	DRQVQVOJUKZOEI-GFCCVEGCSA-N	-1	0	321.289	1.486	40	5		DDBBRM
CCN1C(=O)C(=Cc2cc([N+](=O)[O-])cc(OC)c2[O-])NC1=S	ZINC000409005913	418812026	/nfs/dbraw/zinc/81/20/26/418812026.db2.gz	HBZIIJTVYQUDPF-UITAMQMPSA-N	-1	0	323.330	1.387	40	5		DDBBRM
CCOC(=O)C1=NN(c2cc([N+](=O)[O-])ccc2C)[C@@H](C(=O)[O-])C1	ZINC000071979306	406871153	/nfs/dbraw/zinc/87/11/53/406871153.db2.gz	OEUOJSVTZBBBPN-GFCCVEGCSA-N	-1	0	321.289	1.486	40	5		DDBBRM
N=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])S1	ZINC000008934822	303232498	/nfs/dbraw/zinc/23/24/98/303232498.db2.gz	JPAAYYWZUMBMSN-FARCUNLSSA-N	-1	0	310.247	1.347	40	5		DDBBRM
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)[O-])CC1	ZINC000216931893	484142594	/nfs/dbraw/zinc/14/25/94/484142594.db2.gz	MTVOSKGZZAHVNU-UHFFFAOYSA-N	-1	0	308.290	1.682	40	5		DDBBRM
O=C([O-])c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCCC1	ZINC000256047103	354388772	/nfs/dbraw/zinc/38/87/72/354388772.db2.gz	KJIIIPHDGOAOCA-UHFFFAOYSA-N	-1	0	303.278	1.474	40	5		DDBBRM
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2C)[C@H](C(=O)[O-])C1	ZINC000071979411	406871538	/nfs/dbraw/zinc/87/15/38/406871538.db2.gz	DRQVQVOJUKZOEI-LBPRGKRZSA-N	-1	0	321.289	1.486	40	5		DDBBRM
O=C([O-])C[C@H](n1cc(-n2cc([N+](=O)[O-])cn2)cn1)C(F)(F)F	ZINC000685936635	539564367	/nfs/dbraw/zinc/56/43/67/539564367.db2.gz	MLBLAARVUDMOPR-QMMMGPOBSA-N	-1	0	319.199	1.555	40	5		DDBBRM
O=C([O-])c1nn(-c2cccc(C(F)(F)F)c2)nc1[N+](=O)[O-]	ZINC000089263461	304284696	/nfs/dbraw/zinc/28/46/96/304284696.db2.gz	FUOBCNBYVGHUGP-UHFFFAOYSA-N	-1	0	302.168	1.893	40	5		DDBBRM
Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000004902162	181170494	/nfs/dbraw/zinc/17/04/94/181170494.db2.gz	MGXPBFSXDVZTQW-XQHKEYJVSA-N	-1	0	318.285	1.496	40	5		DDBBRM
CC[NH+](CC)CCOC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000001682887	406674230	/nfs/dbraw/zinc/67/42/30/406674230.db2.gz	UHDVUPXSYOZLOA-UHFFFAOYSA-N	-1	0	310.306	1.792	40	5		DDBBRM
CCOC(=O)C1=NN(c2cc([N+](=O)[O-])ccc2C)[C@H](C(=O)[O-])C1	ZINC000071979305	406870526	/nfs/dbraw/zinc/87/05/26/406870526.db2.gz	OEUOJSVTZBBBPN-LBPRGKRZSA-N	-1	0	321.289	1.486	40	5		DDBBRM
COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036239920	406978157	/nfs/dbraw/zinc/97/81/57/406978157.db2.gz	LXSBXBVWLRHDAV-LLVKDONJSA-N	-1	0	323.330	1.266	40	5		DDBBRM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccn1	ZINC000409375708	418813137	/nfs/dbraw/zinc/81/31/37/418813137.db2.gz	OFMZJLJBVNIWFQ-UHFFFAOYSA-N	-1	0	301.258	1.618	40	5		DDBBRM
C[N+](C)(C)C[C@H](OP(=O)([O-])[O-])c1ccc([N+](=O)[O-])cc1	ZINC000113257925	353976903	/nfs/dbraw/zinc/97/69/03/353976903.db2.gz	VALAFOXMZIGEOF-NSHDSACASA-O	-1	0	305.247	1.451	40	5		DDBBRM
CCc1nnc(Sc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1N	ZINC000070462329	406818030	/nfs/dbraw/zinc/81/80/30/406818030.db2.gz	RVNWTIUNXXCWPY-UHFFFAOYSA-N	-1	0	309.307	1.312	40	5		DDBBRM
O=C1[N-]C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)N1	ZINC000005426655	181242274	/nfs/dbraw/zinc/24/22/74/181242274.db2.gz	LWBADJJISIISPF-CLTKARDFSA-N	-1	0	312.079	1.538	40	5		DDBBRM
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1C(=O)[O-]	ZINC000027529729	406911814	/nfs/dbraw/zinc/91/18/14/406911814.db2.gz	YFDJEILXTCHWQA-UHFFFAOYSA-N	-1	0	319.273	1.655	40	5		DDBBRM
COCCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O	ZINC000409148318	418812422	/nfs/dbraw/zinc/81/24/22/418812422.db2.gz	YJQQKNBHOCWQAI-JXMROGBWSA-N	-1	0	324.314	1.983	40	5		DDBBRM