smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-]	ZINC000005003843	219638012	/nfs/dbraw/zinc/63/80/12/219638012.db2.gz	YXSJREZTZNJYJB-UHFFFAOYSA-N	0	0	362.210	4.041	40	5		FIBBRN
Nc1nc(N)c(-c2ccc(Cl)cc2)c(/C=C/c2ccc([N+](=O)[O-])cc2)n1	ZINC000004877162	204171915	/nfs/dbraw/zinc/17/19/15/204171915.db2.gz	VOCVPDMLBGGHDW-XCVCLJGOSA-N	0	0	367.796	4.040	40	5		FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CC[C@@H]3[C@H](CC[C@H]12)C3(Cl)Cl	ZINC000005067359	204189724	/nfs/dbraw/zinc/18/97/24/204189724.db2.gz	XPDKBYXIHXVCHA-RRIFHVCJSA-N	0	0	369.248	4.389	40	5		FIBBRN
O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000005873189	204227791	/nfs/dbraw/zinc/22/77/91/204227791.db2.gz	ZQHDEESAVUWALV-UHFFFAOYSA-N	0	0	363.329	4.482	40	5		FIBBRN
COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000006642282	204257268	/nfs/dbraw/zinc/25/72/68/204257268.db2.gz	BTKOXBBCACOFKF-UHFFFAOYSA-N	0	0	355.272	4.266	40	5		FIBBRN
CCc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000007093742	204289811	/nfs/dbraw/zinc/28/98/11/204289811.db2.gz	UZAKPOSOAROWCG-AWEZNQCLSA-N	0	0	358.463	4.268	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1	ZINC000013708564	204547280	/nfs/dbraw/zinc/54/72/80/204547280.db2.gz	SCZKDMNEBAAVBK-AWEZNQCLSA-N	0	0	350.374	4.462	40	5		FIBBRN
Nc1nc(-c2cccc(Br)c2)cc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000071977572	205458696	/nfs/dbraw/zinc/45/86/96/205458696.db2.gz	XBHSKYRFLRMBPD-UHFFFAOYSA-N	0	0	371.194	4.064	40	5		FIBBRN
COc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccccc1)=N2	ZINC000004129802	206167854	/nfs/dbraw/zinc/16/78/54/206167854.db2.gz	KTBXPVVPGGSIFT-UHFFFAOYSA-N	0	0	372.384	4.037	40	5		FIBBRN
CCOc1cc(C=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008254199	206245961	/nfs/dbraw/zinc/24/59/61/206245961.db2.gz	GRYHKGSJHUYXMT-UHFFFAOYSA-N	0	0	366.713	4.160	40	5		FIBBRN
O=C(COc1cccc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000006283560	206241891	/nfs/dbraw/zinc/24/18/91/206241891.db2.gz	YTCWEYBHQOAAIK-UHFFFAOYSA-N	0	0	356.765	4.419	40	5		FIBBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)CC(C)(C)O2	ZINC000217876444	206365874	/nfs/dbraw/zinc/36/58/74/206365874.db2.gz	RKXSDGDOVDPAFR-MRXNPFEDSA-N	0	0	354.406	4.244	40	5		FIBBRN
CCCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC	ZINC000224710778	206462553	/nfs/dbraw/zinc/46/25/53/206462553.db2.gz	JFYGGMBLPHQJKC-UHFFFAOYSA-N	0	0	372.421	4.481	40	5		FIBBRN
Cc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-]	ZINC000006964091	132838273	/nfs/dbraw/zinc/83/82/73/132838273.db2.gz	SBTMTRPICDUTJF-UHFFFAOYSA-N	0	0	353.422	4.392	40	5		FIBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Cl)c(C)c1	ZINC000072228844	570535693	/nfs/dbraw/zinc/53/56/93/570535693.db2.gz	OZHTWYTVUXVQIK-UHFFFAOYSA-N	0	0	362.813	4.445	40	5		FIBBRN
CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000006243487	570552141	/nfs/dbraw/zinc/55/21/41/570552141.db2.gz	OKNGDPMZDQTMGO-LBPRGKRZSA-N	0	0	357.435	4.235	40	5		FIBBRN
O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408526766	570565520	/nfs/dbraw/zinc/56/55/20/570565520.db2.gz	BBEXFTNDSDHJGA-UHFFFAOYSA-N	0	0	373.727	4.064	40	5		FIBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(F)cc2)n1-c1ccc(C)cc1	ZINC000408566356	570568298	/nfs/dbraw/zinc/56/82/98/570568298.db2.gz	FKOYDOOFAVXYRS-QGZVFWFLSA-N	0	0	372.425	4.133	40	5		FIBBRN
O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(Cl)c1	ZINC000408725811	570573207	/nfs/dbraw/zinc/57/32/07/570573207.db2.gz	IEXBAHFZKTWUHS-UHFFFAOYSA-N	0	0	354.790	4.259	40	5		FIBBRN
Cc1ccc(Nc2nc(-c3ccccc3)sc(=O)c2[N+](=O)[O-])cc1C	ZINC000408730812	570573312	/nfs/dbraw/zinc/57/33/12/570573312.db2.gz	HYRYERWSUWLAGA-UHFFFAOYSA-N	0	0	353.403	4.439	40	5		FIBBRN
Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1	ZINC000409106723	570581649	/nfs/dbraw/zinc/58/16/49/570581649.db2.gz	TXBRUCJXEPNYBC-UHFFFAOYSA-N	0	0	360.826	4.430	40	5		FIBBRN
COc1ccc(C(=O)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1	ZINC000408974247	570705493	/nfs/dbraw/zinc/70/54/93/570705493.db2.gz	DONCAJPCQKZAGP-UHFFFAOYSA-N	0	0	369.380	4.492	40	5		FIBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Cl)c1	ZINC000039772682	571024075	/nfs/dbraw/zinc/02/40/75/571024075.db2.gz	DISSQSQVJQJSOF-UHFFFAOYSA-N	0	0	360.782	4.019	40	5		FIBBRN
CCC1(CC)C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2O1	ZINC000223180894	571055363	/nfs/dbraw/zinc/05/53/63/571055363.db2.gz	HMNYAXOIXYPGRV-QGZVFWFLSA-N	0	0	368.433	4.336	40	5		FIBBRN
O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013648897	571109857	/nfs/dbraw/zinc/10/98/57/571109857.db2.gz	KTXKXDBJEDZWKP-UHFFFAOYSA-N	0	0	353.205	4.264	40	5		FIBBRN
CC(C)(C)c1ccc(OCc2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1	ZINC000034925945	571169496	/nfs/dbraw/zinc/16/94/96/571169496.db2.gz	DXPBMPBWXWDRRT-UHFFFAOYSA-N	0	0	352.394	4.256	40	5		FIBBRN
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COCC(C)C	ZINC000224451966	571205060	/nfs/dbraw/zinc/20/50/60/571205060.db2.gz	JMZRMYQTELJEJD-UHFFFAOYSA-N	0	0	358.394	4.028	40	5		FIBBRN
CCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC	ZINC000224700503	571277930	/nfs/dbraw/zinc/27/79/30/571277930.db2.gz	WMYIXUYVGTVELM-UHFFFAOYSA-N	0	0	358.394	4.091	40	5		FIBBRN
Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1Br	ZINC000006480171	571296558	/nfs/dbraw/zinc/29/65/58/571296558.db2.gz	FPYLXVYFDOJRIL-UHFFFAOYSA-N	0	0	350.168	4.023	40	5		FIBBRN
COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1	ZINC000006453976	571296495	/nfs/dbraw/zinc/29/64/95/571296495.db2.gz	QQCUQGPZLIAFEK-UHFFFAOYSA-N	0	0	368.345	4.124	40	5		FIBBRN
O=C(Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000008470783	571301445	/nfs/dbraw/zinc/30/14/45/571301445.db2.gz	SWNLQYJVZMIMHP-UHFFFAOYSA-N	0	0	361.357	4.099	40	5		FIBBRN
O=C(Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	ZINC000008470788	571301481	/nfs/dbraw/zinc/30/14/81/571301481.db2.gz	VUDFGVFZXUWYCW-UHFFFAOYSA-N	0	0	361.357	4.099	40	5		FIBBRN
Cc1ccc(SCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000014803309	571303586	/nfs/dbraw/zinc/30/35/86/571303586.db2.gz	NQUFIBUISWBAGJ-UHFFFAOYSA-N	0	0	350.827	4.079	40	5		FIBBRN
CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)c(C)c1	ZINC000225499440	571322490	/nfs/dbraw/zinc/32/24/90/571322490.db2.gz	JSPPNOOUTYCBMB-INIZCTEOSA-N	0	0	362.813	4.446	40	5		FIBBRN
COc1nc2c(C)cccc2cc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000021596544	571335126	/nfs/dbraw/zinc/33/51/26/571335126.db2.gz	LHGSXNYDVFIQKZ-UHFFFAOYSA-N	0	0	362.345	4.177	40	5		FIBBRN
CCc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000106745714	1085222631	/nfs/dbraw/zinc/22/26/31/1085222631.db2.gz	ZRBYRZXAVOORHX-BOPFTXTBSA-N	0	0	368.414	4.394	40	5		FIBBRN
O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000001866104	204021753	/nfs/dbraw/zinc/02/17/53/204021753.db2.gz	GTOKLDKIVKHVEN-UHFFFAOYSA-N	0	0	363.325	4.033	40	5		FIBBRN
O=C(CSc1nc2ccccc2o1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000003465770	204102909	/nfs/dbraw/zinc/10/29/09/204102909.db2.gz	WGBJCLLMAHBIFH-UHFFFAOYSA-N	0	0	363.782	4.120	40	5		FIBBRN
COc1ccccc1Nc1nc(Nc2ccccc2C)nc(C)c1[N+](=O)[O-]	ZINC000005394627	204207266	/nfs/dbraw/zinc/20/72/66/204207266.db2.gz	CGYMKOFJQYSYPV-UHFFFAOYSA-N	0	0	365.393	4.497	40	5		FIBBRN
CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1c2ccccc2cc2ccccc21	ZINC000005247328	204199465	/nfs/dbraw/zinc/19/94/65/204199465.db2.gz	LFXWUOHCVXGABP-FQEVSTJZSA-N	0	0	360.413	4.184	40	5		FIBBRN
O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cn1	ZINC000007447672	204297732	/nfs/dbraw/zinc/29/77/32/204297732.db2.gz	MLRONRJDGJXVSS-UHFFFAOYSA-N	0	0	372.233	4.169	40	5		FIBBRN
O=C(c1ccccc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1	ZINC000036239990	204371388	/nfs/dbraw/zinc/37/13/88/204371388.db2.gz	AAIHEZGNYXLYBB-ZOAFEQKISA-N	0	0	358.397	4.403	40	5		FIBBRN
CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC	ZINC000013668709	204543302	/nfs/dbraw/zinc/54/33/02/204543302.db2.gz	XJBCAKBPTCKNGT-CQSZACIVSA-N	0	0	372.421	4.192	40	5		FIBBRN
COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000030869749	204913630	/nfs/dbraw/zinc/91/36/30/204913630.db2.gz	QBYFDVAPMIAQCB-GOSISDBHSA-N	0	0	356.422	4.429	40	5		FIBBRN
O=[N+]([O-])c1ccc2oc(-c3ccc(I)cc3)nc2c1	ZINC000073642130	205031575	/nfs/dbraw/zinc/03/15/75/205031575.db2.gz	WHJYAQVPXYSHEG-UHFFFAOYSA-N	0	0	366.114	4.008	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc(-c2ccccc2)nc1C	ZINC000017334684	205929032	/nfs/dbraw/zinc/92/90/32/205929032.db2.gz	AUYQERWDXDVBNR-UHFFFAOYSA-N	0	0	369.402	4.288	40	5		FIBBRN
CCOc1ccc(-c2c[nH+]c(NCc3cccc([N+](=O)[O-])c3)n2C)cc1	ZINC000000819167	206133825	/nfs/dbraw/zinc/13/38/25/206133825.db2.gz	CXJPQCMWMUGXTE-UHFFFAOYSA-N	0	0	352.394	4.006	40	5		FIBBRN
O=c1c2ccccc2nc(/C=C/c2ccco2)n1-c1ccc([N+](=O)[O-])cc1	ZINC000004866864	206184143	/nfs/dbraw/zinc/18/41/43/206184143.db2.gz	ZWCZZPCWYKIEPN-VAWYXSNFSA-N	0	0	359.341	4.057	40	5		FIBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000217876629	206365412	/nfs/dbraw/zinc/36/54/12/206365412.db2.gz	KGOKARYHWMRIFT-MRXNPFEDSA-N	0	0	354.406	4.244	40	5		FIBBRN
O=C(Nc1cc(-c2cccc(F)c2)[nH]n1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000223088647	206432530	/nfs/dbraw/zinc/43/25/30/206432530.db2.gz	ACLSWQXBDSVCOV-UHFFFAOYSA-N	0	0	360.732	4.030	40	5		FIBBRN
CCC1(CC)C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2O1	ZINC000223180955	206433262	/nfs/dbraw/zinc/43/32/62/206433262.db2.gz	HMNYAXOIXYPGRV-KRWDZBQOSA-N	0	0	368.433	4.336	40	5		FIBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)n1-c1ccc(C)cc1	ZINC000408566352	263473192	/nfs/dbraw/zinc/47/31/92/263473192.db2.gz	FKOYDOOFAVXYRS-KRWDZBQOSA-N	0	0	372.425	4.133	40	5		FIBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2)n1-c1ccc(C)c(C)c1	ZINC000408573927	570568727	/nfs/dbraw/zinc/56/87/27/570568727.db2.gz	UEBHNJWBWVXIFK-SFHVURJKSA-N	0	0	368.462	4.303	40	5		FIBBRN
CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000166561098	570580659	/nfs/dbraw/zinc/58/06/59/570580659.db2.gz	NSKIWHVOTQKWNL-UHFFFAOYSA-N	0	0	355.822	4.060	40	5		FIBBRN
CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O	ZINC000409067774	570580744	/nfs/dbraw/zinc/58/07/44/570580744.db2.gz	PUYXSEJOMWDRCG-OQLLNIDSSA-N	0	0	358.375	4.219	40	5		FIBBRN
O=C(Cc1ccccc1)Nc1ccc2nc3[nH]c4ccccc4c3nc2c1	ZINC000408975050	570705827	/nfs/dbraw/zinc/70/58/27/570705827.db2.gz	JAQFZKFENXDXBH-UHFFFAOYSA-N	0	0	352.397	4.446	40	5		FIBBRN
O=C(NCc1ccco1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1	ZINC000409002833	570710127	/nfs/dbraw/zinc/71/01/27/570710127.db2.gz	WQDXGCFDUZSTLI-UHFFFAOYSA-N	0	0	357.373	4.179	40	5		FIBBRN
Cc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(C)c1-c1ccc(C)cc1	ZINC000409205251	570740522	/nfs/dbraw/zinc/74/05/22/570740522.db2.gz	OXNBVWQWCDKCOC-VXPUYCOJSA-N	0	0	367.430	4.020	40	5		FIBBRN
O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000015940928	570848456	/nfs/dbraw/zinc/84/84/56/570848456.db2.gz	ULTLXZORIIGLIM-UHFFFAOYSA-N	0	0	367.792	4.486	40	5		FIBBRN
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1Cl	ZINC000160095658	571048616	/nfs/dbraw/zinc/04/86/16/571048616.db2.gz	NIAFPHDYOBCCQX-UHFFFAOYSA-N	0	0	358.206	4.027	40	5		FIBBRN
COc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c([N+](=O)[O-])c1	ZINC000039892833	571065594	/nfs/dbraw/zinc/06/55/94/571065594.db2.gz	MHXGPVDOXJCZHR-UHFFFAOYSA-N	0	0	374.780	4.493	40	5		FIBBRN
O=C(NCCCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1Cl	ZINC000013674024	571110435	/nfs/dbraw/zinc/11/04/35/571110435.db2.gz	DQZMWVIPELRAQG-UHFFFAOYSA-N	0	0	353.205	4.264	40	5		FIBBRN
CC(C)(C)c1ccccc1OCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000223665301	571160594	/nfs/dbraw/zinc/16/05/94/571160594.db2.gz	VFVGKWMTZUMBAU-JLHYYAGUSA-N	0	0	368.433	4.101	40	5		FIBBRN
CCCCCCN(CCCCCC)C(=O)c1c([N+](=O)[O-])cnn1CC	ZINC000006398173	571183391	/nfs/dbraw/zinc/18/33/91/571183391.db2.gz	ZEMLTYCZUODFHD-UHFFFAOYSA-N	0	0	352.479	4.414	40	5		FIBBRN
CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000222955568	571204468	/nfs/dbraw/zinc/20/44/68/571204468.db2.gz	NTZILWLEIXURCM-MRXNPFEDSA-N	0	0	358.394	4.016	40	5		FIBBRN
CCCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC	ZINC000224439929	571204795	/nfs/dbraw/zinc/20/47/95/571204795.db2.gz	QDHHGSXQBDFJOT-UHFFFAOYSA-N	0	0	358.394	4.172	40	5		FIBBRN
Cc1ccsc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000214893483	571283308	/nfs/dbraw/zinc/28/33/08/571283308.db2.gz	ODYPXHMFUBVFLW-RIYZIHGNSA-N	0	0	360.416	4.201	40	5		FIBBRN
Cc1ccc(C)n1N(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008475534	571301595	/nfs/dbraw/zinc/30/15/95/571301595.db2.gz	AYNGYDCDEWAIER-UHFFFAOYSA-N	0	0	367.380	4.131	40	5		FIBBRN
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1Cl	ZINC000015538736	571303575	/nfs/dbraw/zinc/30/35/75/571303575.db2.gz	PJHIBGHWZUFWCN-UHFFFAOYSA-N	0	0	374.702	4.285	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000033597379	571305628	/nfs/dbraw/zinc/30/56/28/571305628.db2.gz	AVUOOFPYMSHGER-UHFFFAOYSA-N	0	0	367.317	4.324	40	5		FIBBRN
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000020140979	571328034	/nfs/dbraw/zinc/32/80/34/571328034.db2.gz	YIXDJXOPQBEVDV-UHFFFAOYSA-N	0	0	366.373	4.216	40	5		FIBBRN
O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Cl)c1	ZINC000059417108	571357094	/nfs/dbraw/zinc/35/70/94/571357094.db2.gz	VNAQXUQUPLMDJB-UHFFFAOYSA-N	0	0	374.702	4.285	40	5		FIBBRN
CCc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000106727233	1085216190	/nfs/dbraw/zinc/21/61/90/1085216190.db2.gz	RFFUERBABKSHNJ-BOPFTXTBSA-N	0	0	368.414	4.394	40	5		FIBBRN
Cc1ccc(NC(=O)/C(Br)=C/c2ccccc2)c([N+](=O)[O-])c1	ZINC000004387965	203809143	/nfs/dbraw/zinc/80/91/43/203809143.db2.gz	ZARLOZKQWPHGBM-RAXLEYEMSA-N	0	0	361.195	4.278	40	5		FIBBRN
Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)O2)cc1[N+](=O)[O-]	ZINC000001445083	204008678	/nfs/dbraw/zinc/00/86/78/204008678.db2.gz	PJUJROORQZLYNK-WOJGMQOQSA-N	0	0	358.353	4.401	40	5		FIBBRN
CCn1c2ccc([N+](=O)[O-])cc2c2c1ccc(-n1cccc1)c2[N+](=O)[O-]	ZINC000001579277	204014268	/nfs/dbraw/zinc/01/42/68/204014268.db2.gz	APOFNLZDMOMXIO-UHFFFAOYSA-N	0	0	350.334	4.422	40	5		FIBBRN
Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000001621489	204014409	/nfs/dbraw/zinc/01/44/09/204014409.db2.gz	IJDCEAZPZJSEPS-UHFFFAOYSA-N	0	0	369.398	4.338	40	5		FIBBRN
Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc32)cc1	ZINC000005546394	204214129	/nfs/dbraw/zinc/21/41/29/204214129.db2.gz	UMIRDBAOQTZECP-UHFFFAOYSA-N	0	0	357.369	4.269	40	5		FIBBRN
O=C(Nc1nc2ccc(F)cc2s1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005559124	204214655	/nfs/dbraw/zinc/21/46/55/204214655.db2.gz	OVCTWWKLEQADQF-UHFFFAOYSA-N	0	0	351.746	4.249	40	5		FIBBRN
O=C(Nc1ccc(Cl)c(Cl)c1)n1ncc2cc([N+](=O)[O-])ccc21	ZINC000005890681	204229571	/nfs/dbraw/zinc/22/95/71/204229571.db2.gz	GFNRNXMRZPKZKC-UHFFFAOYSA-N	0	0	351.149	4.332	40	5		FIBBRN
O=C(NCCSCc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl	ZINC000010280431	204393416	/nfs/dbraw/zinc/39/34/16/204393416.db2.gz	QEDYXXJRRMQOFF-UHFFFAOYSA-N	0	0	368.817	4.051	40	5		FIBBRN
CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC	ZINC000013668710	204542472	/nfs/dbraw/zinc/54/24/72/204542472.db2.gz	XJBCAKBPTCKNGT-AWEZNQCLSA-N	0	0	372.421	4.192	40	5		FIBBRN
CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000044844565	205111645	/nfs/dbraw/zinc/11/16/45/205111645.db2.gz	JKVSTJCRGVOQMM-HNNXBMFYSA-N	0	0	364.785	4.053	40	5		FIBBRN
COc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1	ZINC000226237583	206120383	/nfs/dbraw/zinc/12/03/83/206120383.db2.gz	DXUOLNTWVSSJPB-UHFFFAOYSA-N	0	0	363.167	4.483	40	5		FIBBRN
COc1ccc(C2=Nc3ccccc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1	ZINC000006973421	206207515	/nfs/dbraw/zinc/20/75/15/206207515.db2.gz	GLYHHWNSHISBKJ-UHFFFAOYSA-N	0	0	372.384	4.037	40	5		FIBBRN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005567729	206240746	/nfs/dbraw/zinc/24/07/46/206240746.db2.gz	YBKRKIYMTWMYAP-UHFFFAOYSA-N	0	0	356.121	4.062	40	5		FIBBRN
O=[N+]([O-])c1cccc(-c2n(O)c3c(c4ccccc4c4ccccc34)[n+]2[O-])c1	ZINC000006243947	206242529	/nfs/dbraw/zinc/24/25/29/206242529.db2.gz	MMXDOQQWCZGFGZ-UHFFFAOYSA-N	0	0	371.352	4.394	40	5		FIBBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CC(C)(C)O2	ZINC000218131836	206367171	/nfs/dbraw/zinc/36/71/71/206367171.db2.gz	WIXATWUGUPRSSX-INIZCTEOSA-N	0	0	354.406	4.244	40	5		FIBBRN
CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cn1	ZINC000225865692	206505012	/nfs/dbraw/zinc/50/50/12/206505012.db2.gz	KRCQMMSXLHLIDI-UHFFFAOYSA-N	0	0	369.421	4.229	40	5		FIBBRN
Cc1ccc(N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	ZINC000219859708	132275237	/nfs/dbraw/zinc/27/52/37/132275237.db2.gz	BJLVIIBXBKQWLG-UHFFFAOYSA-N	0	0	373.840	4.412	40	5		FIBBRN
COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000009141715	263360425	/nfs/dbraw/zinc/36/04/25/263360425.db2.gz	YFTCHONQQPSGRB-UHFFFAOYSA-N	0	0	359.140	4.302	40	5		FIBBRN
CC(C)Oc1ccc(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000217887956	519779021	/nfs/dbraw/zinc/77/90/21/519779021.db2.gz	CJAANTRRBPTCIM-JLHYYAGUSA-N	0	0	368.433	4.144	40	5		FIBBRN
Cc1cc(C)cc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000020196988	524456047	/nfs/dbraw/zinc/45/60/47/524456047.db2.gz	XMCSHSMQCSVIHW-UHFFFAOYSA-N	0	0	371.418	4.466	40	5		FIBBRN
O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)c1cccc([N+](=O)[O-])c1	ZINC000019927374	527051479	/nfs/dbraw/zinc/05/14/79/527051479.db2.gz	NLNGPESRBJBMDG-UHFFFAOYSA-N	0	0	374.809	4.008	40	5		FIBBRN
O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1[N+](=O)[O-]	ZINC000020140811	527171562	/nfs/dbraw/zinc/17/15/62/527171562.db2.gz	FDWXLHYPZKDQLV-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
O=C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1	ZINC000032117899	568351266	/nfs/dbraw/zinc/35/12/66/568351266.db2.gz	XXDRRYDCACBEMN-UHFFFAOYSA-N	0	0	360.369	4.007	40	5		FIBBRN
O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408530935	570511976	/nfs/dbraw/zinc/51/19/76/570511976.db2.gz	SPQNWFGXCIACBM-UHFFFAOYSA-N	0	0	373.727	4.064	40	5		FIBBRN
Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn2)cc1	ZINC000408531643	570567293	/nfs/dbraw/zinc/56/72/93/570567293.db2.gz	VPTFWQNNAQJXRH-UHFFFAOYSA-N	0	0	369.764	4.233	40	5		FIBBRN
CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O	ZINC000408810203	570574433	/nfs/dbraw/zinc/57/44/33/570574433.db2.gz	ILJDGMLXHNFYIL-QPEQYQDCSA-N	0	0	364.766	4.174	40	5		FIBBRN
COC(=O)c1ccc(NC(=O)Nc2cc3ncccc3c3cccnc23)cc1	ZINC000408977603	570706988	/nfs/dbraw/zinc/70/69/88/570706988.db2.gz	WUTGLXXDYIGQPB-UHFFFAOYSA-N	0	0	372.384	4.214	40	5		FIBBRN
Cc1cc(C)cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1	ZINC000003902722	570772255	/nfs/dbraw/zinc/77/22/55/570772255.db2.gz	SLURSLWFDBLLTR-UHFFFAOYSA-N	0	0	356.425	4.410	40	5		FIBBRN
CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225086229	571014006	/nfs/dbraw/zinc/01/40/06/571014006.db2.gz	MDCFGQNJIHXTMQ-UHFFFAOYSA-N	0	0	362.451	4.044	40	5		FIBBRN
CCOc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC	ZINC000013668831	571110327	/nfs/dbraw/zinc/11/03/27/571110327.db2.gz	BANMTGCSBDVQBO-CQSZACIVSA-N	0	0	372.421	4.192	40	5		FIBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc2ccccc2c1	ZINC000222748930	571146565	/nfs/dbraw/zinc/14/65/65/571146565.db2.gz	GFMJHGIWFPPJOL-UHFFFAOYSA-N	0	0	366.442	4.298	40	5		FIBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1cccc2ccccc21	ZINC000222827721	571148424	/nfs/dbraw/zinc/14/84/24/571148424.db2.gz	HAWODLCDMZRQGJ-UHFFFAOYSA-N	0	0	366.442	4.298	40	5		FIBBRN
O=C(Cc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000225619850	571148703	/nfs/dbraw/zinc/14/87/03/571148703.db2.gz	OWTZRPVRMCOZBY-UHFFFAOYSA-N	0	0	369.602	4.192	40	5		FIBBRN
CC(C)C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000006364216	571182510	/nfs/dbraw/zinc/18/25/10/571182510.db2.gz	PCSGCJRSQKXLER-UHFFFAOYSA-N	0	0	361.785	4.095	40	5		FIBBRN
CCCCCCN(CCCCCC)C(=O)c1c([N+](=O)[O-])c(C)nn1C	ZINC000006398151	571183419	/nfs/dbraw/zinc/18/34/19/571183419.db2.gz	BMMHJIXXMYKCRF-UHFFFAOYSA-N	0	0	352.479	4.240	40	5		FIBBRN
CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000020050572	571203500	/nfs/dbraw/zinc/20/35/00/571203500.db2.gz	CHBTWJKWXNBOOY-BJMVGYQFSA-N	0	0	374.780	4.077	40	5		FIBBRN
CC[C@H](Oc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000008496364	571301892	/nfs/dbraw/zinc/30/18/92/571301892.db2.gz	GPYFJKNVUKRDSB-AWEZNQCLSA-N	0	0	352.749	4.183	40	5		FIBBRN
O=C1S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000214164069	571312268	/nfs/dbraw/zinc/31/22/68/571312268.db2.gz	JEVMLSSVDRDAMU-KPKJPENVSA-N	0	0	364.766	4.078	40	5		FIBBRN
COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C	ZINC000225507529	571322757	/nfs/dbraw/zinc/32/27/57/571322757.db2.gz	SLTNIQOCJPKZOA-UHFFFAOYSA-N	0	0	354.406	4.362	40	5		FIBBRN
CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000020048587	571327824	/nfs/dbraw/zinc/32/78/24/571327824.db2.gz	CFKHYBUQXHAYIL-RMKNXTFCSA-N	0	0	374.780	4.077	40	5		FIBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)c(F)c1	ZINC000021576262	571335040	/nfs/dbraw/zinc/33/50/40/571335040.db2.gz	GPBUZHGDOHWRMN-JXMROGBWSA-N	0	0	369.396	4.376	40	5		FIBBRN
O=C(N1CCC(Cc2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225991458	571339107	/nfs/dbraw/zinc/33/91/07/571339107.db2.gz	RLLMVJQVQFSPND-UHFFFAOYSA-N	0	0	364.445	4.108	40	5		FIBBRN
Cn1c(Sc2nc3ccc([N+](=O)[O-])cc3s2)nnc1-c1ccccc1	ZINC000059489588	571357367	/nfs/dbraw/zinc/35/73/67/571357367.db2.gz	CABQEBPQKFPOFP-UHFFFAOYSA-N	0	0	369.431	4.151	40	5		FIBBRN
CC(C)(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccn2)n1	ZINC000328964601	203844623	/nfs/dbraw/zinc/84/46/23/203844623.db2.gz	BWZBUFQLNBFIKK-UHFFFAOYSA-N	0	0	364.409	4.401	40	5		FIBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(Br)=C/c1ccccc1	ZINC000004387963	203808543	/nfs/dbraw/zinc/80/85/43/203808543.db2.gz	UNJMSQJGBVVEBX-UVTDQMKNSA-N	0	0	361.195	4.278	40	5		FIBBRN
O=[N+]([O-])c1ccc(/C(=C\c2ccc(F)cc2)S(=O)(=O)c2ccccc2)o1	ZINC000001565727	204012610	/nfs/dbraw/zinc/01/26/10/204012610.db2.gz	OOGFHEVYRLDFOY-SFQUDFHCSA-N	0	0	373.361	4.299	40	5		FIBBRN
CCO[P@@]1(=O)C=C(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)O1	ZINC000001642300	204015308	/nfs/dbraw/zinc/01/53/08/204015308.db2.gz	ZXXJUBCXDGHKFW-QHCPKHFHSA-N	0	0	374.311	4.475	40	5		FIBBRN
O=C(Nc1ccc(O)c(-c2nc3ccccc3[nH]2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000003064980	204076764	/nfs/dbraw/zinc/07/67/64/204076764.db2.gz	AGLCUODZCUUSAX-UHFFFAOYSA-N	0	0	374.356	4.096	40	5		FIBBRN
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000003602893	204108431	/nfs/dbraw/zinc/10/84/31/204108431.db2.gz	ARZHCIUZXQMDGN-SECBINFHSA-N	0	0	355.177	4.308	40	5		FIBBRN
COc1ccc(Nc2nc(N(C)c3ccccc3)nc(C)c2[N+](=O)[O-])cc1	ZINC000005360725	204205176	/nfs/dbraw/zinc/20/51/76/204205176.db2.gz	FAMYPSHFPNOIIC-UHFFFAOYSA-N	0	0	365.393	4.213	40	5		FIBBRN
O=[N+]([O-])c1cccc(/C=c2/nc(-c3ccccc3)n3c4ccccc4nc23)c1	ZINC000005646873	204219578	/nfs/dbraw/zinc/21/95/78/204219578.db2.gz	BHTYVZQUXDHVEM-XMHGGMMESA-N	0	0	366.380	4.005	40	5		FIBBRN
CCCCOc1ccc(-c2nc(N)c3c(n2)c2ccccc2oc3=O)cc1	ZINC000005250186	204199705	/nfs/dbraw/zinc/19/97/05/204199705.db2.gz	LJHBDZYWXURDDV-UHFFFAOYSA-N	0	0	361.401	4.164	40	5		FIBBRN
O=C(COc1cccc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000005739933	204223142	/nfs/dbraw/zinc/22/31/42/204223142.db2.gz	UTCDOHNEWXGTOC-UHFFFAOYSA-N	0	0	356.765	4.419	40	5		FIBBRN
CC(=CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Nc1cc([N+](=O)[O-])ccc1C	ZINC000006401130	204247501	/nfs/dbraw/zinc/24/75/01/204247501.db2.gz	DDUIKUKDJMJSFA-MDWZMJQESA-N	0	0	370.365	4.074	40	5		FIBBRN
O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000072229453	205502676	/nfs/dbraw/zinc/50/26/76/205502676.db2.gz	VHFCYJIWGOMOGR-UHFFFAOYSA-N	0	0	356.121	4.062	40	5		FIBBRN
Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)n1	ZINC000148522309	206141447	/nfs/dbraw/zinc/14/14/47/206141447.db2.gz	ODNBTGPALWVWMW-UHFFFAOYSA-N	0	0	364.405	4.017	40	5		FIBBRN
Cc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc32)cc1	ZINC000000846538	206135507	/nfs/dbraw/zinc/13/55/07/206135507.db2.gz	LPMHNJFUQXMCJC-UHFFFAOYSA-N	0	0	359.381	4.272	40	5		FIBBRN
COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)cc1	ZINC000003554301	206234508	/nfs/dbraw/zinc/23/45/08/206234508.db2.gz	DNDKGFFLXWVXPC-UHFFFAOYSA-N	0	0	369.402	4.288	40	5		FIBBRN
Cc1ccc(C)c(N2C(=N)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000006189854	206242185	/nfs/dbraw/zinc/24/21/85/206242185.db2.gz	XJIGARDHSCLXPP-FPJCIRPISA-N	0	0	353.403	4.267	40	5		FIBBRN
CCCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	ZINC000006636241	206242999	/nfs/dbraw/zinc/24/29/99/206242999.db2.gz	XJGPVQPFNJNEPG-UHFFFAOYSA-N	0	0	364.785	4.298	40	5		FIBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000217942645	206367128	/nfs/dbraw/zinc/36/71/28/206367128.db2.gz	ITKMQSUHPFDECO-INIZCTEOSA-N	0	0	354.406	4.244	40	5		FIBBRN
CCCc1ccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000223375196	206439180	/nfs/dbraw/zinc/43/91/80/206439180.db2.gz	XIWOFYCXVWWYLV-UHFFFAOYSA-N	0	0	362.813	4.010	40	5		FIBBRN
CC(C)c1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000223747933	206448022	/nfs/dbraw/zinc/44/80/22/206448022.db2.gz	SNXPRYBAXTXSTK-UHFFFAOYSA-N	0	0	362.813	4.180	40	5		FIBBRN
CC(=O)CCc1cc2c(cc1[N+](=O)[O-])CC[C@@H](C)N2C(=O)c1ccccc1	ZINC000003844795	132385763	/nfs/dbraw/zinc/38/57/63/132385763.db2.gz	DYKXCHXTHNNZGD-CQSZACIVSA-N	0	0	366.417	4.098	40	5		FIBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCC2)cc1	ZINC000006249130	132831794	/nfs/dbraw/zinc/83/17/94/132831794.db2.gz	CSISPNLPUJPIIO-AWNIVKPZSA-N	0	0	351.406	4.237	40	5		FIBBRN
Cc1cccc(CSCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000408573390	570568798	/nfs/dbraw/zinc/56/87/98/570568798.db2.gz	DODBAIJQBWJSPY-UHFFFAOYSA-N	0	0	364.854	4.220	40	5		FIBBRN
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(C)c1	ZINC000225876821	570634366	/nfs/dbraw/zinc/63/43/66/570634366.db2.gz	LSRMPFZEWCXQMV-INIZCTEOSA-N	0	0	362.813	4.446	40	5		FIBBRN
Cc1cccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000005294441	570646282	/nfs/dbraw/zinc/64/62/82/570646282.db2.gz	GPKFTJUCPMNLHZ-UHFFFAOYSA-N	0	0	357.391	4.158	40	5		FIBBRN
O=C1c2cccc3cccc(c32)C(=O)N1c1ccc([N+](=O)[O-])cc1Cl	ZINC000005583065	570678021	/nfs/dbraw/zinc/67/80/21/570678021.db2.gz	AETUSGIXEIJDGH-UHFFFAOYSA-N	0	0	352.733	4.202	40	5		FIBBRN
Cc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1[N+](=O)[O-]	ZINC000409184083	570737193	/nfs/dbraw/zinc/73/71/93/570737193.db2.gz	IMRBMDFGKJIBCF-UHFFFAOYSA-N	0	0	364.854	4.220	40	5		FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1	ZINC000041007286	571105831	/nfs/dbraw/zinc/10/58/31/571105831.db2.gz	RJUUQLNBSQGRDP-UHFFFAOYSA-N	0	0	361.151	4.356	40	5		FIBBRN
Cc1c(C(=O)NCCCc2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-]	ZINC000013649093	571109809	/nfs/dbraw/zinc/10/98/09/571109809.db2.gz	SCGRYMAAKBQQEO-UHFFFAOYSA-N	0	0	356.422	4.053	40	5		FIBBRN
CC[C@@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000007072933	571259985	/nfs/dbraw/zinc/25/99/85/571259985.db2.gz	GSTTULKNCBCXIZ-CYBMUJFWSA-N	0	0	358.394	4.134	40	5		FIBBRN
CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224778777	571280020	/nfs/dbraw/zinc/28/00/20/571280020.db2.gz	PQRFLZSBZGCPDU-UHFFFAOYSA-N	0	0	368.842	4.080	40	5		FIBBRN
S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)NC1CC1	ZINC000006045882	571295192	/nfs/dbraw/zinc/29/51/92/571295192.db2.gz	IINLBLUFHFGZGB-UHFFFAOYSA-N	0	0	350.472	4.447	40	5		FIBBRN
Cc1c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cccc1[N+](=O)[O-]	ZINC000225176746	571317363	/nfs/dbraw/zinc/31/73/63/571317363.db2.gz	WSWLYGMWDUDMAA-CQSZACIVSA-N	0	0	354.406	4.188	40	5		FIBBRN
Cc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000215253810	571320870	/nfs/dbraw/zinc/32/08/70/571320870.db2.gz	SUOLJDYQLMZPDE-MHWRWJLKSA-N	0	0	354.387	4.140	40	5		FIBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1	ZINC000009062503	571321027	/nfs/dbraw/zinc/32/10/27/571321027.db2.gz	WYMAYWGEKUHBGS-UHFFFAOYSA-N	0	0	360.782	4.019	40	5		FIBBRN
CCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCC	ZINC000030862379	571349155	/nfs/dbraw/zinc/34/91/55/571349155.db2.gz	FYYMLLBCLHYRTJ-UHFFFAOYSA-N	0	0	372.421	4.272	40	5		FIBBRN
CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000003547672	571350880	/nfs/dbraw/zinc/35/08/80/571350880.db2.gz	PYNYEDFJFKFOEL-UHFFFAOYSA-N	0	0	362.769	4.066	40	5		FIBBRN
CC(=O)Oc1cccc2cc3cc(C)cc(OC(C)=O)c3c(OC(C)=O)c21	ZINC000001703957	204017424	/nfs/dbraw/zinc/01/74/24/204017424.db2.gz	UNJZBAUSDNLBJP-UHFFFAOYSA-N	0	0	366.369	4.077	40	5		FIBBRN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(Oc2ccccc2)c1	ZINC000005485165	204210370	/nfs/dbraw/zinc/21/03/70/204210370.db2.gz	OAKGDHWEBWZDBZ-UHFFFAOYSA-N	0	0	360.325	4.188	40	5		FIBBRN
O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000005756670	204224548	/nfs/dbraw/zinc/22/45/48/204224548.db2.gz	QPTFHWFQZBOXKD-UHFFFAOYSA-N	0	0	370.217	4.028	40	5		FIBBRN
Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000022245372	204774099	/nfs/dbraw/zinc/77/40/99/204774099.db2.gz	ZBMLLQHCBBTDSB-UHFFFAOYSA-N	0	0	368.418	4.380	40	5		FIBBRN
CC(C)c1ccc(/C=C/C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1	ZINC000073642530	205032347	/nfs/dbraw/zinc/03/23/47/205032347.db2.gz	IMKTXKJJFMBTAH-BJMVGYQFSA-N	0	0	363.417	4.197	40	5		FIBBRN
CCOc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC	ZINC000038772690	205043623	/nfs/dbraw/zinc/04/36/23/205043623.db2.gz	SLRJFOXOKAFIMP-UHFFFAOYSA-N	0	0	372.421	4.272	40	5		FIBBRN
CCN(CC)c1cc(NC(=O)c2ccccc2F)c(Cl)cc1[N+](=O)[O-]	ZINC000072229251	205502937	/nfs/dbraw/zinc/50/29/37/205502937.db2.gz	VXJFGFIJTMXMOQ-UHFFFAOYSA-N	0	0	365.792	4.486	40	5		FIBBRN
Cc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1	ZINC000004866376	206184468	/nfs/dbraw/zinc/18/44/68/206184468.db2.gz	DSXYOXSTOAKWQM-UHFFFAOYSA-N	0	0	358.335	4.013	40	5		FIBBRN
CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000222985765	206430138	/nfs/dbraw/zinc/43/01/38/206430138.db2.gz	LUZSFEHFCHHVTB-KRWDZBQOSA-N	0	0	358.394	4.016	40	5		FIBBRN
CC1(C)CSC(N(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)=N1	ZINC000027525217	206454419	/nfs/dbraw/zinc/45/44/19/206454419.db2.gz	CGIONQQVBGATTA-UHFFFAOYSA-N	0	0	369.446	4.166	40	5		FIBBRN
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COC(C)C	ZINC000224430977	206459307	/nfs/dbraw/zinc/45/93/07/206459307.db2.gz	AXANLUFMBCDEPW-UHFFFAOYSA-N	0	0	358.394	4.089	40	5		FIBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COC(C)C	ZINC000224721558	206464774	/nfs/dbraw/zinc/46/47/74/206464774.db2.gz	ODLXWFJEUFBDES-UHFFFAOYSA-N	0	0	372.421	4.479	40	5		FIBBRN
CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(C)c1	ZINC000225682995	206492771	/nfs/dbraw/zinc/49/27/71/206492771.db2.gz	WBHIAOQYVKBUIS-VEGGFIAOSA-N	0	0	354.406	4.193	40	5		FIBBRN
O=C(Nc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005740828	132306025	/nfs/dbraw/zinc/30/60/25/132306025.db2.gz	LJGVYIBPPINDOQ-UHFFFAOYSA-N	0	0	359.813	4.491	40	5		FIBBRN
O=C(Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000006615681	132371531	/nfs/dbraw/zinc/37/15/31/132371531.db2.gz	XPLWEWINSSDCJK-UHFFFAOYSA-N	0	0	359.813	4.491	40	5		FIBBRN
Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]	ZINC000005815064	263342922	/nfs/dbraw/zinc/34/29/22/263342922.db2.gz	TWJVESNWRGORMX-UHFFFAOYSA-N	0	0	361.206	4.011	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1Cl	ZINC000021125788	263383465	/nfs/dbraw/zinc/38/34/65/263383465.db2.gz	VSCRTGJTNPDOGB-UHFFFAOYSA-N	0	0	366.826	4.129	40	5		FIBBRN
Cc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(C)c1-c1ccc(C)cc1	ZINC000409195401	263539810	/nfs/dbraw/zinc/53/98/10/263539810.db2.gz	IKBGCTMXFVGYPI-VXPUYCOJSA-N	0	0	367.430	4.020	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cccc2cccnc21	ZINC000057469070	568276996	/nfs/dbraw/zinc/27/69/96/568276996.db2.gz	JMLFYVBMNPUOPX-UHFFFAOYSA-N	0	0	353.403	4.182	40	5		FIBBRN
Cc1ccccc1C(=O)Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl	ZINC000072229121	570535177	/nfs/dbraw/zinc/53/51/77/570535177.db2.gz	JSGKSZCSHCJEPN-UHFFFAOYSA-N	0	0	359.813	4.409	40	5		FIBBRN
CCN(CC)c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1[N+](=O)[O-]	ZINC000072229344	570535404	/nfs/dbraw/zinc/53/54/04/570535404.db2.gz	GVIHGNSYHZARKE-UHFFFAOYSA-N	0	0	365.792	4.486	40	5		FIBBRN
CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006243154	570552006	/nfs/dbraw/zinc/55/20/06/570552006.db2.gz	VNOPIUWYHZWGGL-GFCCVEGCSA-N	0	0	357.435	4.235	40	5		FIBBRN
CCn1c(Sc2ccc([N+](=O)[O-])cc2C(C)=O)nnc1-c1ccccc1	ZINC000408582654	570569261	/nfs/dbraw/zinc/56/92/61/570569261.db2.gz	OMROKRVPIOXCPL-UHFFFAOYSA-N	0	0	368.418	4.227	40	5		FIBBRN
COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000408624489	570570513	/nfs/dbraw/zinc/57/05/13/570570513.db2.gz	XFSVEOHHSRTOLX-UHFFFAOYSA-N	0	0	364.785	4.053	40	5		FIBBRN
Cc1c(Cl)cccc1NC(=O)CSCc1cccc([N+](=O)[O-])c1	ZINC000408724926	570573223	/nfs/dbraw/zinc/57/32/23/570573223.db2.gz	CDIMYGNBBCVCFS-UHFFFAOYSA-N	0	0	350.827	4.429	40	5		FIBBRN
CCc1ccc(-n2c(C)nnc2SCc2cccc([N+](=O)[O-])c2)cc1	ZINC000409099570	570723885	/nfs/dbraw/zinc/72/38/85/570723885.db2.gz	UGWACMAXZOAGRO-UHFFFAOYSA-N	0	0	354.435	4.339	40	5		FIBBRN
CCOc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC	ZINC000013668832	571110466	/nfs/dbraw/zinc/11/04/66/571110466.db2.gz	BANMTGCSBDVQBO-AWEZNQCLSA-N	0	0	372.421	4.192	40	5		FIBBRN
Cc1c(NC(=O)[C@@H](C)Oc2cccc3ccccc32)cccc1[N+](=O)[O-]	ZINC000013709320	571111337	/nfs/dbraw/zinc/11/13/37/571111337.db2.gz	IBTCDXOKPYADQT-CQSZACIVSA-N	0	0	350.374	4.462	40	5		FIBBRN
CCc1ccc(C(=O)COC(=O)CCSc2ccc([N+](=O)[O-])cc2)cc1	ZINC000016161501	571153964	/nfs/dbraw/zinc/15/39/64/571153964.db2.gz	NYFOFCXGYCRYIB-UHFFFAOYSA-N	0	0	373.430	4.066	40	5		FIBBRN
CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225071850	571293649	/nfs/dbraw/zinc/29/36/49/571293649.db2.gz	MHAVHXLOKMNKAH-UHFFFAOYSA-N	0	0	362.451	4.242	40	5		FIBBRN
CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006243465	571295633	/nfs/dbraw/zinc/29/56/33/571295633.db2.gz	VNOPIUWYHZWGGL-LBPRGKRZSA-N	0	0	357.435	4.235	40	5		FIBBRN
CCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC	ZINC000008286179	571300796	/nfs/dbraw/zinc/30/07/96/571300796.db2.gz	PACPFZAIAYCNBY-UHFFFAOYSA-N	0	0	358.394	4.425	40	5		FIBBRN
O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000008471188	571301430	/nfs/dbraw/zinc/30/14/30/571301430.db2.gz	ABYKLLPGCSCJHP-VJOPYQGCSA-N	0	0	372.380	4.043	40	5		FIBBRN
CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC	ZINC000033703651	571305771	/nfs/dbraw/zinc/30/57/71/571305771.db2.gz	PTRBMIFSZNCNEY-UHFFFAOYSA-N	0	0	364.785	4.298	40	5		FIBBRN
O=C(NCCCc1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000010542280	571321547	/nfs/dbraw/zinc/32/15/47/571321547.db2.gz	UKTBJFCOCCNHAJ-UHFFFAOYSA-N	0	0	353.205	4.264	40	5		FIBBRN
O=C(Nc1cccc2ccccc21)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000019014941	571323421	/nfs/dbraw/zinc/32/34/21/571323421.db2.gz	JOGCLEDNNKEEHR-UHFFFAOYSA-N	0	0	352.306	4.300	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C	ZINC000020038432	571327858	/nfs/dbraw/zinc/32/78/58/571327858.db2.gz	AIHQSPJSMJRVLT-CYBMUJFWSA-N	0	0	358.394	4.133	40	5		FIBBRN
O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000020140853	571328038	/nfs/dbraw/zinc/32/80/38/571328038.db2.gz	LVQKWPTYHKTIGU-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000020141058	571328068	/nfs/dbraw/zinc/32/80/68/571328068.db2.gz	CBKZCINIOWAPTJ-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2NN=C(c3ccccc3)S2)cc1	ZINC000059408980	571356992	/nfs/dbraw/zinc/35/69/92/571356992.db2.gz	OEQJFDWYODBLTD-SFHVURJKSA-N	0	0	350.403	4.082	40	5		FIBBRN
O=C(Nc1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000002149527	204026828	/nfs/dbraw/zinc/02/68/28/204026828.db2.gz	SXHSXUJZDOVNJP-UHFFFAOYSA-N	0	0	363.329	4.422	40	5		FIBBRN
O=[N+]([O-])c1ccc(N2[C@H](c3ccccc3[N+](=O)[O-])C2(Cl)Cl)cc1	ZINC000005331519	204203137	/nfs/dbraw/zinc/20/31/37/204203137.db2.gz	MENMVEDPKVLJAH-FWJOYPJLSA-N	0	0	354.149	4.196	40	5		FIBBRN
Cc1ccc(NC(=O)CSc2cccc3cccnc32)c([N+](=O)[O-])c1	ZINC000006426469	204247985	/nfs/dbraw/zinc/24/79/85/204247985.db2.gz	KSGHKUFFOIWGNE-UHFFFAOYSA-N	0	0	353.403	4.182	40	5		FIBBRN
CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1	ZINC000038771439	205043293	/nfs/dbraw/zinc/04/32/93/205043293.db2.gz	RCFIHCXFBRITDU-SFHVURJKSA-N	0	0	374.462	4.104	40	5		FIBBRN
O=[N+]([O-])c1cccc(-c2n[nH]c(COc3cccc(Cl)c3Cl)n2)c1	ZINC000040169571	205061283	/nfs/dbraw/zinc/06/12/83/205061283.db2.gz	YLDYOUSPMXUMML-UHFFFAOYSA-N	0	0	365.176	4.266	40	5		FIBBRN
Cc1cc(-c2n[nH]c(COc3ccc4ccccc4c3)n2)ccc1[N+](=O)[O-]	ZINC000040169723	205061926	/nfs/dbraw/zinc/06/19/26/205061926.db2.gz	JUIJQIJPOWZFBA-UHFFFAOYSA-N	0	0	360.373	4.421	40	5		FIBBRN
CC(C)(C)c1ccc(-c2nnc(COc3ccc([N+](=O)[O-])cc3)[nH]2)cc1	ZINC000064873717	205308342	/nfs/dbraw/zinc/30/83/42/205308342.db2.gz	HIPCXZIONIVPRH-UHFFFAOYSA-N	0	0	352.394	4.256	40	5		FIBBRN
O=[N+]([O-])c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(F)(F)F)c1	ZINC000066156368	205364416	/nfs/dbraw/zinc/36/44/16/205364416.db2.gz	DSVDUSQUZBRRKE-UHFFFAOYSA-N	0	0	373.199	4.222	40	5		FIBBRN
Cc1ccc(Nc2nc(Cl)nc(Nc3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000000869128	206138579	/nfs/dbraw/zinc/13/85/79/206138579.db2.gz	HOPJDEAAIPBALO-UHFFFAOYSA-N	0	0	356.773	4.229	40	5		FIBBRN
Cc1ccc(-c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000001851293	206153411	/nfs/dbraw/zinc/15/34/11/206153411.db2.gz	CTPBVOQTOUCKGG-UHFFFAOYSA-N	0	0	369.398	4.338	40	5		FIBBRN
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)c1cc3cc([N+](=O)[O-])ccc3oc1=O)C2	ZINC000004291920	206173668	/nfs/dbraw/zinc/17/36/68/206173668.db2.gz	INKHNBFWANDRDJ-RRBXVBTKSA-N	0	0	371.389	4.073	40	5		FIBBRN
Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1	ZINC000005674323	206240510	/nfs/dbraw/zinc/24/05/10/206240510.db2.gz	KYFPCQBIXZQSAK-UHFFFAOYSA-N	0	0	357.366	4.418	40	5		FIBBRN
COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-]	ZINC000014258295	206309886	/nfs/dbraw/zinc/30/98/86/206309886.db2.gz	LSKLQFDLJFXTNZ-UHFFFAOYSA-N	0	0	355.177	4.471	40	5		FIBBRN
CC1(C)C[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2O1	ZINC000217888062	206365956	/nfs/dbraw/zinc/36/59/56/206365956.db2.gz	BVOXGGGUKREOPV-SXSDINLZSA-N	0	0	352.390	4.027	40	5		FIBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000217942730	206366877	/nfs/dbraw/zinc/36/68/77/206366877.db2.gz	ITKMQSUHPFDECO-MRXNPFEDSA-N	0	0	354.406	4.244	40	5		FIBBRN
Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1[N+](=O)[O-]	ZINC000217941505	206367329	/nfs/dbraw/zinc/36/73/29/206367329.db2.gz	NYGNONQBOPSXNV-UHFFFAOYSA-N	0	0	360.369	4.387	40	5		FIBBRN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)c1ccccc1	ZINC000218159177	206369469	/nfs/dbraw/zinc/36/94/69/206369469.db2.gz	SIBZEDKRSPRBRR-UHFFFAOYSA-N	0	0	360.369	4.007	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2	ZINC000223469791	206441907	/nfs/dbraw/zinc/44/19/07/206441907.db2.gz	DTPTUQYAZQLYIP-AWEZNQCLSA-N	0	0	354.406	4.188	40	5		FIBBRN
C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2	ZINC000222901322	206427051	/nfs/dbraw/zinc/42/70/51/206427051.db2.gz	HHKRZNQTAORJIN-RZXPCSSPSA-N	0	0	350.418	4.364	40	5		FIBBRN
O=[N+]([O-])c1ccc(NC(=S)NCC2(c3ccccc3)CCCCC2)nc1	ZINC000223990499	206451842	/nfs/dbraw/zinc/45/18/42/206451842.db2.gz	YBDNBMRBOYAPEH-UHFFFAOYSA-N	0	0	370.478	4.178	40	5		FIBBRN
O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1	ZINC000033792556	263397101	/nfs/dbraw/zinc/39/71/01/263397101.db2.gz	SJEQQGIOVURGCG-UHFFFAOYSA-N	0	0	374.809	4.008	40	5		FIBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2)n1-c1ccc(C)c(C)c1	ZINC000408573925	263474199	/nfs/dbraw/zinc/47/41/99/263474199.db2.gz	UEBHNJWBWVXIFK-GOSISDBHSA-N	0	0	368.462	4.303	40	5		FIBBRN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1coc2ccc([N+](=O)[O-])cc12	ZINC000408965120	263510481	/nfs/dbraw/zinc/51/04/81/263510481.db2.gz	GTEBAAQGJPAFID-UHFFFAOYSA-N	0	0	361.697	4.155	40	5		FIBBRN
CC(C)NC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408975879	263512798	/nfs/dbraw/zinc/51/27/98/263512798.db2.gz	OQYGCRLCZKOXIR-UHFFFAOYSA-N	0	0	367.412	4.018	40	5		FIBBRN
CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(C)c1	ZINC000019927624	523240764	/nfs/dbraw/zinc/24/07/64/523240764.db2.gz	GCECZFUEWKQSNS-UHFFFAOYSA-N	0	0	354.435	4.474	40	5		FIBBRN
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1[N+](=O)[O-]	ZINC000021577091	568136077	/nfs/dbraw/zinc/13/60/77/568136077.db2.gz	YEIKYFSYQMZKJY-UHFFFAOYSA-N	0	0	357.385	4.285	40	5		FIBBRN
O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000836644	568319145	/nfs/dbraw/zinc/31/91/45/568319145.db2.gz	HFFARIVKYHMCLJ-SFQUDFHCSA-N	0	0	360.325	4.199	40	5		FIBBRN
COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1OC	ZINC000072229480	570535296	/nfs/dbraw/zinc/53/52/96/570535296.db2.gz	MHDBGNPOBFBSRE-UHFFFAOYSA-N	0	0	371.176	4.171	40	5		FIBBRN
Cc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1	ZINC000072229492	570535331	/nfs/dbraw/zinc/53/53/31/570535331.db2.gz	WDPKWFHUINVBPL-UHFFFAOYSA-N	0	0	355.177	4.228	40	5		FIBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Cl)cc1C	ZINC000072228843	570535366	/nfs/dbraw/zinc/53/53/66/570535366.db2.gz	RBABTHHJDLDVPX-UHFFFAOYSA-N	0	0	362.813	4.445	40	5		FIBBRN
CC(C)CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000225822910	570538718	/nfs/dbraw/zinc/53/87/18/570538718.db2.gz	WMPRNXFJIDUMDM-UHFFFAOYSA-N	0	0	372.859	4.100	40	5		FIBBRN
COC(=O)c1ccc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)cc1	ZINC000408541913	570567662	/nfs/dbraw/zinc/56/76/62/570567662.db2.gz	GMMXGAXTNQGNJC-NTMALXAHSA-N	0	0	354.318	4.108	40	5		FIBBRN
CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br	ZINC000408558251	570567888	/nfs/dbraw/zinc/56/78/88/570567888.db2.gz	QQTARPABFZRQHG-UHFFFAOYSA-N	0	0	351.200	4.368	40	5		FIBBRN
O=C(Sc1nnc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cc1	ZINC000408587078	570569379	/nfs/dbraw/zinc/56/93/79/570569379.db2.gz	PVRYUPRGANOCAD-UHFFFAOYSA-N	0	0	361.766	4.231	40	5		FIBBRN
CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1OC	ZINC000408617383	570570315	/nfs/dbraw/zinc/57/03/15/570570315.db2.gz	CABGVYKMEBAONO-UHFFFAOYSA-N	0	0	364.785	4.216	40	5		FIBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc2cccnc2c2cccnc12	ZINC000408978161	570707020	/nfs/dbraw/zinc/70/70/20/570707020.db2.gz	YNAVYQNVTZSGSK-UHFFFAOYSA-N	0	0	359.345	4.335	40	5		FIBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSC1CCCCC1	ZINC000409027597	570714687	/nfs/dbraw/zinc/71/46/87/570714687.db2.gz	MKZHBNUZTQFGQL-UHFFFAOYSA-N	0	0	368.524	4.010	40	5		FIBBRN
Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1[N+](=O)[O-]	ZINC000223666079	571160615	/nfs/dbraw/zinc/16/06/15/571160615.db2.gz	DKHZWVYPCQAOSP-UHFFFAOYSA-N	0	0	356.422	4.010	40	5		FIBBRN
CC(C)c1ccccc1OCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000223744476	571161429	/nfs/dbraw/zinc/16/14/29/571161429.db2.gz	IMJVZSTWYVCQRK-UHFFFAOYSA-N	0	0	362.813	4.180	40	5		FIBBRN
CC(C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000022259207	571200840	/nfs/dbraw/zinc/20/08/40/571200840.db2.gz	TZPUYXATQACSDG-UHFFFAOYSA-N	0	0	354.815	4.172	40	5		FIBBRN
COC(=O)c1ccc(NC(=O)Nc2cc3cccnc3c3ncccc23)cc1	ZINC000006441026	571296421	/nfs/dbraw/zinc/29/64/21/571296421.db2.gz	MCMKORCCHZSBFM-UHFFFAOYSA-N	0	0	372.384	4.214	40	5		FIBBRN
CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	ZINC000006630671	571296922	/nfs/dbraw/zinc/29/69/22/571296922.db2.gz	VYGMFXYYJQQOSP-AYOQOUSVSA-N	0	0	368.389	4.016	40	5		FIBBRN
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCCC[C@H]23)cc1	ZINC000006970880	571298364	/nfs/dbraw/zinc/29/83/64/571298364.db2.gz	BIWHRFNRPKJNAX-FHLIZLRMSA-N	0	0	355.350	4.138	40	5		FIBBRN
CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000008496371	571301907	/nfs/dbraw/zinc/30/19/07/571301907.db2.gz	GPYFJKNVUKRDSB-CQSZACIVSA-N	0	0	352.749	4.183	40	5		FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl	ZINC000018033961	571318823	/nfs/dbraw/zinc/31/88/23/571318823.db2.gz	XPDKBYXIHXVCHA-CAPBHKODSA-N	0	0	369.248	4.389	40	5		FIBBRN
CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCC2)cc1	ZINC000010113714	571321332	/nfs/dbraw/zinc/32/13/32/571321332.db2.gz	NRJXBPARTWLEFW-UHFFFAOYSA-N	0	0	359.813	4.125	40	5		FIBBRN
COc1nc2cc(C)ccc2cc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000021595118	571335102	/nfs/dbraw/zinc/33/51/02/571335102.db2.gz	RZKJNHILHGEBDZ-UHFFFAOYSA-N	0	0	362.345	4.177	40	5		FIBBRN
COc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C	ZINC000225865964	571338842	/nfs/dbraw/zinc/33/88/42/571338842.db2.gz	HIIXDTYIRPTJLK-UHFFFAOYSA-N	0	0	369.421	4.147	40	5		FIBBRN
CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000030872673	571349249	/nfs/dbraw/zinc/34/92/49/571349249.db2.gz	HXDZIBAHBCXJGT-MRXNPFEDSA-N	0	0	364.785	4.053	40	5		FIBBRN
COc1ccc(Nc2cc(Cl)nc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1	ZINC000328964196	203844526	/nfs/dbraw/zinc/84/45/26/203844526.db2.gz	BUAGHNFSUSCNQP-UHFFFAOYSA-N	0	0	374.759	4.018	40	5		FIBBRN
CCN(CC)C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2	ZINC000001452419	204007973	/nfs/dbraw/zinc/00/79/73/204007973.db2.gz	UAOYQUYWIPUIET-XBLGPDGASA-N	0	0	356.466	4.301	40	5		FIBBRN
CCN(CC)C(=S)Oc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000001736430	204017987	/nfs/dbraw/zinc/01/79/87/204017987.db2.gz	LXWOYIHTOHAMLQ-UHFFFAOYSA-N	0	0	369.443	4.114	40	5		FIBBRN
CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1	ZINC000004720709	204158152	/nfs/dbraw/zinc/15/81/52/204158152.db2.gz	LHGUZANBLIRTHV-UHFFFAOYSA-N	0	0	354.406	4.444	40	5		FIBBRN
O=[N+]([O-])c1cc2nc3ccc(OC(F)(F)F)cc3cc2c([N+](=O)[O-])c1	ZINC000004558132	204146653	/nfs/dbraw/zinc/14/66/53/204146653.db2.gz	FCFHRJAWAXZIIU-UHFFFAOYSA-N	0	0	353.212	4.103	40	5		FIBBRN
Cc1c(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cccc1[N+](=O)[O-]	ZINC000007319260	204295316	/nfs/dbraw/zinc/29/53/16/204295316.db2.gz	MQCWTOWPJBXAOT-UHFFFAOYSA-N	0	0	374.809	4.327	40	5		FIBBRN
COc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C=C2C	ZINC000010157730	204392361	/nfs/dbraw/zinc/39/23/61/204392361.db2.gz	CUZOHEHOYCUKDS-UHFFFAOYSA-N	0	0	352.390	4.446	40	5		FIBBRN
O=[N+]([O-])c1ccccc1-c1n[nH]c(COc2cccc(Cl)c2Cl)n1	ZINC000034925943	204986104	/nfs/dbraw/zinc/98/61/04/204986104.db2.gz	HDDYQGBFFRCWEN-UHFFFAOYSA-N	0	0	365.176	4.266	40	5		FIBBRN
Cc1cc(C)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000009064344	206247298	/nfs/dbraw/zinc/24/72/98/206247298.db2.gz	MFCZGXYWULHUJM-UHFFFAOYSA-N	0	0	353.422	4.373	40	5		FIBBRN
CCc1ccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc1	ZINC000010010539	206248748	/nfs/dbraw/zinc/24/87/48/206248748.db2.gz	KUYZBMMZUKAJTG-UHFFFAOYSA-N	0	0	357.391	4.028	40	5		FIBBRN
COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000014258298	206309774	/nfs/dbraw/zinc/30/97/74/206309774.db2.gz	LDBCLELFVRLSLP-UHFFFAOYSA-N	0	0	359.140	4.302	40	5		FIBBRN
O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014790066	206312108	/nfs/dbraw/zinc/31/21/08/206312108.db2.gz	MOHFSKLBKQMIEV-UHFFFAOYSA-N	0	0	358.703	4.197	40	5		FIBBRN
Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl	ZINC000224120779	206455337	/nfs/dbraw/zinc/45/53/37/206455337.db2.gz	IBQCTXDXIKUAAV-UHFFFAOYSA-N	0	0	369.204	4.019	40	5		FIBBRN
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000009141924	263360019	/nfs/dbraw/zinc/36/00/19/263360019.db2.gz	GIIKWJJLVJHDQR-UHFFFAOYSA-N	0	0	361.785	4.157	40	5		FIBBRN
COc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1[N+](=O)[O-]	ZINC000009141527	263360451	/nfs/dbraw/zinc/36/04/51/263360451.db2.gz	OKAQOQLDSIKYFX-UHFFFAOYSA-N	0	0	358.394	4.053	40	5		FIBBRN
CCN(CC)c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1	ZINC000059489900	263421221	/nfs/dbraw/zinc/42/12/21/263421221.db2.gz	ILNPAUFZJUPUHS-OAQYLSRUSA-N	0	0	369.465	4.362	40	5		FIBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2)n1-c1ccc(Cl)cc1	ZINC000408571898	263473726	/nfs/dbraw/zinc/47/37/26/263473726.db2.gz	PUOLHFDYMJQKLM-MRXNPFEDSA-N	0	0	374.853	4.339	40	5		FIBBRN
CCOc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000218123943	520947363	/nfs/dbraw/zinc/94/73/63/520947363.db2.gz	SIEVLFPGAUMNBN-UHFFFAOYSA-N	0	0	362.813	4.010	40	5		FIBBRN
Cc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000020039073	525697217	/nfs/dbraw/zinc/69/72/17/525697217.db2.gz	VBAHTVBADORHPW-OAHLLOKOSA-N	0	0	358.463	4.322	40	5		FIBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1	ZINC000218047904	527024778	/nfs/dbraw/zinc/02/47/78/527024778.db2.gz	NQTYPXRIFYLYJB-UHFFFAOYSA-N	0	0	370.352	4.486	40	5		FIBBRN
Cc1cc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)ccc1[N+](=O)[O-]	ZINC000021577111	568136063	/nfs/dbraw/zinc/13/60/63/568136063.db2.gz	DNIIWSQVBIQVIL-UHFFFAOYSA-N	0	0	357.385	4.285	40	5		FIBBRN
COc1cc(Cl)c([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OC	ZINC000408566010	570568376	/nfs/dbraw/zinc/56/83/76/570568376.db2.gz	DOKBUOCMZRPBMW-AWEZNQCLSA-N	0	0	360.797	4.247	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl	ZINC000016101177	570701610	/nfs/dbraw/zinc/70/16/10/570701610.db2.gz	FPNWZQDXUSMKBR-UHFFFAOYSA-N	0	0	361.206	4.011	40	5		FIBBRN
CN(C)c1ccc(NC(=O)Nc2cc3ncccc3c3cccnc23)cc1	ZINC000408977136	570706525	/nfs/dbraw/zinc/70/65/25/570706525.db2.gz	ULSHEHTYSXJMIK-UHFFFAOYSA-N	0	0	357.417	4.493	40	5		FIBBRN
O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1Cl	ZINC000409057461	570717278	/nfs/dbraw/zinc/71/72/78/570717278.db2.gz	QJGMLCXWHFPKFY-ZROIWOOFSA-N	0	0	360.778	4.489	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(Cl)cccc1Cl	ZINC000014396814	570848306	/nfs/dbraw/zinc/84/83/06/570848306.db2.gz	NGAVYCRENJALDA-UHFFFAOYSA-N	0	0	361.206	4.011	40	5		FIBBRN
CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000222985703	571044124	/nfs/dbraw/zinc/04/41/24/571044124.db2.gz	LUZSFEHFCHHVTB-QGZVFWFLSA-N	0	0	358.394	4.016	40	5		FIBBRN
Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1	ZINC000000930716	571130583	/nfs/dbraw/zinc/13/05/83/571130583.db2.gz	YYPFKJVCVJUYPT-UHFFFAOYSA-N	0	0	371.396	4.328	40	5		FIBBRN
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000008040959	571299978	/nfs/dbraw/zinc/29/99/78/571299978.db2.gz	IFJGDNCFFZJTCP-OAHLLOKOSA-N	0	0	364.785	4.053	40	5		FIBBRN
C/C(=C\c1ccccc1OC(=O)c1ccc(Br)cc1)[N+](=O)[O-]	ZINC000033787056	571305958	/nfs/dbraw/zinc/30/59/58/571305958.db2.gz	GEFLMBVFCWKCOY-ZHACJKMWSA-N	0	0	362.179	4.306	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2	ZINC000225140673	571311633	/nfs/dbraw/zinc/31/16/33/571311633.db2.gz	RPVNBBTZIKOOKY-CQSZACIVSA-N	0	0	354.406	4.188	40	5		FIBBRN
COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000008907422	571320905	/nfs/dbraw/zinc/32/09/05/571320905.db2.gz	JJZJPPPTJOEBMN-UHFFFAOYSA-N	0	0	355.177	4.471	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(Cl)cccc1Cl	ZINC000225350511	571320879	/nfs/dbraw/zinc/32/08/79/571320879.db2.gz	RANNKWZQCKSPAY-UHFFFAOYSA-N	0	0	369.204	4.482	40	5		FIBBRN
Cc1c(Nc2cc(C(F)(F)F)nc(NC(C)(C)C)n2)cccc1[N+](=O)[O-]	ZINC000329071579	571326677	/nfs/dbraw/zinc/32/66/77/571326677.db2.gz	ZRFFGZGUJRWLPJ-UHFFFAOYSA-N	0	0	369.347	4.088	40	5		FIBBRN
COC(=O)/C=C/c1cc(Br)c(-c2cc([N+](=O)[O-])ccc2C)o1	ZINC000057351241	571342666	/nfs/dbraw/zinc/34/26/66/571342666.db2.gz	CBYBQJLNWRNKRK-AATRIKPKSA-N	0	0	366.167	4.112	40	5		FIBBRN
Cc1nccn1Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000030945848	571349884	/nfs/dbraw/zinc/34/98/84/571349884.db2.gz	IFJRNYUQOKVNED-UHFFFAOYSA-N	0	0	370.796	4.054	40	5		FIBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000325732012	1118299237	/nfs/dbraw/zinc/29/92/37/1118299237.db2.gz	DWUXXXXPOPNVLK-UHFFFAOYSA-N	0	0	370.148	4.371	40	5		FIBBRN
Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)N2	ZINC000001106641	219370756	/nfs/dbraw/zinc/37/07/56/219370756.db2.gz	GOALJPIAUGPLFR-INIZCTEOSA-N	0	0	369.402	4.387	40	5		FIBBRN
CC(C)(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccnc2)n1	ZINC000329014355	203846966	/nfs/dbraw/zinc/84/69/66/203846966.db2.gz	MVBJJHYKWKKWNV-UHFFFAOYSA-N	0	0	364.409	4.401	40	5		FIBBRN
O=[N+]([O-])c1ccc2ncccc2c1CCc1c2cccnc2ccc1[N+](=O)[O-]	ZINC000001857405	204020935	/nfs/dbraw/zinc/02/09/35/204020935.db2.gz	ZEBXQNPPSLVDEJ-UHFFFAOYSA-N	0	0	374.356	4.385	40	5	in-vitro	FIBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCC	ZINC000005466523	204211116	/nfs/dbraw/zinc/21/11/16/204211116.db2.gz	JICGGUNGLLOKSB-UHFFFAOYSA-N	0	0	364.785	4.298	40	5		FIBBRN
O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)c1ccccc1[N+](=O)[O-]	ZINC000006025701	204234642	/nfs/dbraw/zinc/23/46/42/204234642.db2.gz	RITUTYVKIQNRKS-UHFFFAOYSA-N	0	0	358.357	4.390	40	5		FIBBRN
Cc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C	ZINC000007093752	204289312	/nfs/dbraw/zinc/28/93/12/204289312.db2.gz	IDANMZADQLTAKY-HNNXBMFYSA-N	0	0	358.463	4.322	40	5		FIBBRN
Cc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C	ZINC000007093748	204289621	/nfs/dbraw/zinc/28/96/21/204289621.db2.gz	IDANMZADQLTAKY-OAHLLOKOSA-N	0	0	358.463	4.322	40	5		FIBBRN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)ccc1F	ZINC000226862951	206124063	/nfs/dbraw/zinc/12/40/63/206124063.db2.gz	VBCNVWOHDOIZMF-UHFFFAOYSA-N	0	0	372.377	4.202	40	5		FIBBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)CC(C)(C)O2	ZINC000217942462	206367298	/nfs/dbraw/zinc/36/72/98/206367298.db2.gz	CTXWQWKUXBFPOF-INIZCTEOSA-N	0	0	354.406	4.244	40	5		FIBBRN
Cc1ccc(N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1	ZINC000219856709	132275087	/nfs/dbraw/zinc/27/50/87/132275087.db2.gz	DLBXNBMOWUNTOV-UHFFFAOYSA-N	0	0	353.422	4.067	40	5		FIBBRN
CC1(C)[C@H]2CC[C@]1(C)[C@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2	ZINC000001664353	263144330	/nfs/dbraw/zinc/14/43/30/263144330.db2.gz	BFZTUMLBYZXNHR-ZJNRKIDTSA-N	0	0	362.382	4.122	40	5		FIBBRN
O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc([N+](=O)[O-])o1	ZINC000010120062	263363648	/nfs/dbraw/zinc/36/36/48/263363648.db2.gz	CPWXQYOOVOLPDR-UHFFFAOYSA-N	0	0	363.329	4.172	40	5		FIBBRN
CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000019932860	522867214	/nfs/dbraw/zinc/86/72/14/522867214.db2.gz	BBLSGWPQEFUMDY-INIZCTEOSA-N	0	0	358.394	4.016	40	5		FIBBRN
Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn2)cc1	ZINC000408528621	570508675	/nfs/dbraw/zinc/50/86/75/570508675.db2.gz	KEJVVVOOWLFUHE-UHFFFAOYSA-N	0	0	369.764	4.233	40	5		FIBBRN
O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1	ZINC000210199540	570537583	/nfs/dbraw/zinc/53/75/83/570537583.db2.gz	USQLZMKCCNAVLI-RIYZIHGNSA-N	0	0	360.778	4.489	40	5		FIBBRN
CC(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	ZINC000004902819	570556410	/nfs/dbraw/zinc/55/64/10/570556410.db2.gz	UWFKEESMWBVJJH-UHFFFAOYSA-N	0	0	367.405	4.040	40	5		FIBBRN
CCOc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])cc2C=O)o1	ZINC000408526494	570565373	/nfs/dbraw/zinc/56/53/73/570565373.db2.gz	CFNHUTWLPVTOLX-UHFFFAOYSA-N	0	0	371.374	4.007	40	5		FIBBRN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408580756	570568388	/nfs/dbraw/zinc/56/83/88/570568388.db2.gz	DTESHEAOCZXPJI-UHFFFAOYSA-N	0	0	374.809	4.387	40	5		FIBBRN
CCCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC	ZINC000408620791	570570263	/nfs/dbraw/zinc/57/02/63/570570263.db2.gz	MGAXVCIGRXPJKB-UHFFFAOYSA-N	0	0	358.394	4.343	40	5		FIBBRN
CN(C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccc([N+](=O)[O-])cc1	ZINC000005205310	570632416	/nfs/dbraw/zinc/63/24/16/570632416.db2.gz	DADYFUFRBBOTIY-UHFFFAOYSA-N	0	0	358.353	4.083	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccco1)c1ccccc1	ZINC000409114019	570726159	/nfs/dbraw/zinc/72/61/59/570726159.db2.gz	KEJNDBRTPBZJCF-GHRIWEEISA-N	0	0	364.357	4.376	40	5		FIBBRN
O=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1	ZINC000013631860	571109192	/nfs/dbraw/zinc/10/91/92/571109192.db2.gz	RJCKHGWNOIVKIJ-UHFFFAOYSA-N	0	0	361.357	4.099	40	5		FIBBRN
O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccccc1Cl	ZINC000001051854	571144723	/nfs/dbraw/zinc/14/47/23/571144723.db2.gz	RBRIWJAJVCOVBV-VGOFMYFVSA-N	0	0	363.156	4.246	40	5		FIBBRN
O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000223652049	571160607	/nfs/dbraw/zinc/16/06/07/571160607.db2.gz	IMNBVPCMZCPRNA-UHFFFAOYSA-N	0	0	362.794	4.202	40	5		FIBBRN
CCCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC	ZINC000224419162	571203122	/nfs/dbraw/zinc/20/31/22/571203122.db2.gz	MUCSXQUAOJZPNL-UHFFFAOYSA-N	0	0	358.394	4.091	40	5		FIBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000325781335	571274908	/nfs/dbraw/zinc/27/49/08/571274908.db2.gz	LLKOYQXYGLEWQI-UHFFFAOYSA-N	0	0	370.148	4.371	40	5		FIBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000325828631	571275016	/nfs/dbraw/zinc/27/50/16/571275016.db2.gz	TXAUXHDCDKGWGH-UHFFFAOYSA-N	0	0	370.148	4.371	40	5		FIBBRN
Cc1c(C(=O)Nc2cccc(Cl)c2N2CCCC2)cccc1[N+](=O)[O-]	ZINC000006265994	571295601	/nfs/dbraw/zinc/29/56/01/571295601.db2.gz	FDMNHVYZGZRSHS-UHFFFAOYSA-N	0	0	359.813	4.409	40	5		FIBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccs1	ZINC000006595723	571296799	/nfs/dbraw/zinc/29/67/99/571296799.db2.gz	ZKZSCVGZMXWAFS-GOSISDBHSA-N	0	0	367.382	4.437	40	5		FIBBRN
O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCCCC3)cc2)c1	ZINC000008378508	571301264	/nfs/dbraw/zinc/30/12/64/571301264.db2.gz	SYSZGBHKUUZZLA-UHFFFAOYSA-N	0	0	356.447	4.335	40	5		FIBBRN
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000008471197	571301427	/nfs/dbraw/zinc/30/14/27/571301427.db2.gz	ABYKLLPGCSCJHP-ZCQKWSGTSA-N	0	0	372.380	4.043	40	5		FIBBRN
COc1ccc(OC)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	ZINC000033547090	571305468	/nfs/dbraw/zinc/30/54/68/571305468.db2.gz	CQTORFWFZDMYOO-UHFFFAOYSA-N	0	0	368.345	4.124	40	5		FIBBRN
Nc1nc(-c2ccc(Br)cc2)cc2c3ccccc3oc(=O)c12	ZINC000053277597	571306422	/nfs/dbraw/zinc/30/64/22/571306422.db2.gz	HHSIDIBPPXKWTC-UHFFFAOYSA-N	0	0	367.202	4.353	40	5		FIBBRN
S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCCCC1	ZINC000038306766	571309474	/nfs/dbraw/zinc/30/94/74/571309474.db2.gz	BHHMTRFLZFCLMM-UHFFFAOYSA-N	0	0	361.474	4.447	40	5		FIBBRN
Cc1c(Nc2cc(Cl)nc(-c3ccc(F)cc3)n2)cccc1[N+](=O)[O-]	ZINC000328962017	571326467	/nfs/dbraw/zinc/32/64/67/571326467.db2.gz	BGQKCJSYZSJVCK-UHFFFAOYSA-N	0	0	358.760	4.318	40	5		FIBBRN
Cc1c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-]	ZINC000021904216	571336203	/nfs/dbraw/zinc/33/62/03/571336203.db2.gz	YJTFIRHMNNZVGG-UHFFFAOYSA-N	0	0	356.422	4.010	40	5		FIBBRN
COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000030869756	571349214	/nfs/dbraw/zinc/34/92/14/571349214.db2.gz	QBYFDVAPMIAQCB-SFHVURJKSA-N	0	0	356.422	4.429	40	5		FIBBRN
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COC(C)C	ZINC000224431058	209784537	/nfs/dbraw/zinc/78/45/37/209784537.db2.gz	JDLPPOOKQUXKJD-UHFFFAOYSA-N	0	0	358.394	4.089	40	5		FIBBRN
Cc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(F)cc1)=N2	ZINC000004129798	209412674	/nfs/dbraw/zinc/41/26/74/209412674.db2.gz	SOIWXUKAZUHPQE-UHFFFAOYSA-N	0	0	374.375	4.476	40	5		FIBBRN
O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000104374836	209261605	/nfs/dbraw/zinc/26/16/05/209261605.db2.gz	QNLBGGJUQVTXJB-UHFFFAOYSA-N	0	0	373.199	4.222	40	5		FIBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(Br)c1	ZINC000045888898	206766732	/nfs/dbraw/zinc/76/67/32/206766732.db2.gz	QKAKTAFBFCUOHW-UHFFFAOYSA-N	0	0	363.211	4.480	40	5		FIBBRN
Nc1c(Br)cc2c3ccccc3c(=O)oc2c1Br	ZINC000001609899	206889521	/nfs/dbraw/zinc/88/95/21/206889521.db2.gz	XBZDTRQGTZUNFD-UHFFFAOYSA-N	0	0	369.012	4.053	40	5		FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004474645	207021574	/nfs/dbraw/zinc/02/15/74/207021574.db2.gz	SROCKNJWDIXORZ-UHFFFAOYSA-N	0	0	356.121	4.062	40	5		FIBBRN
Cc1ccc(C)c(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c1	ZINC000005538035	207105256	/nfs/dbraw/zinc/10/52/56/207105256.db2.gz	CRRKMJOHAIWHLT-LZYBPNLTSA-N	0	0	356.765	4.210	40	5		FIBBRN
Cc1csc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1	ZINC000005748686	207115209	/nfs/dbraw/zinc/11/52/09/207115209.db2.gz	NALSORYBDDVHII-VQHVLOKHSA-N	0	0	355.375	4.272	40	5		FIBBRN
O=C(Nc1ccccc1NC(=O)C1CCCCC1)c1ccccc1[N+](=O)[O-]	ZINC000006258518	207135201	/nfs/dbraw/zinc/13/52/01/207135201.db2.gz	BORVXTKPHYRZRB-UHFFFAOYSA-N	0	0	367.405	4.366	40	5		FIBBRN
Cc1ccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000008907632	207251025	/nfs/dbraw/zinc/25/10/25/207251025.db2.gz	DYFRJRPUDXSFJI-UHFFFAOYSA-N	0	0	350.827	4.429	40	5		FIBBRN
O=C(NCCCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000010542386	207301458	/nfs/dbraw/zinc/30/14/58/207301458.db2.gz	LJXJPQDBQLAZAX-UHFFFAOYSA-N	0	0	353.205	4.264	40	5		FIBBRN
O=[N+]([O-])c1ccc2c(/C=C/c3ccccn3)nn([C@@H]3CCCCO3)c2c1	ZINC000069593861	208119609	/nfs/dbraw/zinc/11/96/09/208119609.db2.gz	BKXMYFOISYYOLE-VQFGERMISA-N	0	0	350.378	4.209	40	5		FIBBRN
O=[N+]([O-])c1ccc2nc(-c3cccc(I)c3)oc2c1	ZINC000073640046	208188018	/nfs/dbraw/zinc/18/80/18/208188018.db2.gz	PAASXECBQRXEIC-UHFFFAOYSA-N	0	0	366.114	4.008	40	5		FIBBRN
CN(C)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000006226617	263344287	/nfs/dbraw/zinc/34/42/87/263344287.db2.gz	SFSRBUISHWTTPN-UHFFFAOYSA-N	0	0	351.362	4.173	40	5		FIBBRN
O=C(Nc1cccc(O)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000006882676	263348026	/nfs/dbraw/zinc/34/80/26/263348026.db2.gz	IJRBBSFLMPNASP-UHFFFAOYSA-N	0	0	358.737	4.466	40	5		FIBBRN
Cc1cc(Cl)ccc1NC(=O)CSCc1cccc([N+](=O)[O-])c1	ZINC000408726261	263491122	/nfs/dbraw/zinc/49/11/22/263491122.db2.gz	KPNWPOYUZMYBJZ-UHFFFAOYSA-N	0	0	350.827	4.429	40	5		FIBBRN
CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1	ZINC000020490637	522393930	/nfs/dbraw/zinc/39/39/30/522393930.db2.gz	OMNGMMSETQLDOW-SFHVURJKSA-N	0	0	358.463	4.404	40	5		FIBBRN
Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	ZINC000218048667	524203589	/nfs/dbraw/zinc/20/35/89/524203589.db2.gz	CAVZPJRTCUICAM-OAHLLOKOSA-N	0	0	358.463	4.322	40	5		FIBBRN
O=C(NC(=S)c1cccc2ccccc21)Nc1cccc([N+](=O)[O-])c1	ZINC000408732877	570573678	/nfs/dbraw/zinc/57/36/78/570573678.db2.gz	UHOPETGMIXKLRK-UHFFFAOYSA-N	0	0	351.387	4.245	40	5		FIBBRN
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CC12CC3CC(CC(C3)C1)C2	ZINC000005008362	570574282	/nfs/dbraw/zinc/57/42/82/570574282.db2.gz	IPDDNNZDDIJKCG-RNJZWHOHSA-N	0	0	372.490	4.385	40	5		FIBBRN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)S2)cc1	ZINC000408773361	570685448	/nfs/dbraw/zinc/68/54/48/570685448.db2.gz	KDMXXFGLHYERKK-DPWKNNTCSA-N	0	0	369.446	4.065	40	5		FIBBRN
O=C(NCc1ccccc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1	ZINC000408974965	570705841	/nfs/dbraw/zinc/70/58/41/570705841.db2.gz	GUZXJFQCYAMVFC-UHFFFAOYSA-N	0	0	352.397	4.194	40	5		FIBBRN
COc1ccc(OC)c(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)c1	ZINC000059474341	571090692	/nfs/dbraw/zinc/09/06/92/571090692.db2.gz	NKNRBJOJILAYIS-UHFFFAOYSA-N	0	0	374.392	4.389	40	5		FIBBRN
Cc1cc(C(=O)NCCCc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-]	ZINC000013668257	571110502	/nfs/dbraw/zinc/11/05/02/571110502.db2.gz	PKDWQIORZFDNNX-UHFFFAOYSA-N	0	0	356.422	4.053	40	5		FIBBRN
CCCc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000223434244	571121830	/nfs/dbraw/zinc/12/18/30/571121830.db2.gz	WWOGEXASFREAQL-UHFFFAOYSA-N	0	0	362.813	4.010	40	5		FIBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cc2ccncc2)cc1	ZINC000015941050	571145895	/nfs/dbraw/zinc/14/58/95/571145895.db2.gz	DGAGASAMQMLEKC-RMKNXTFCSA-N	0	0	359.385	4.233	40	5		FIBBRN
O=C(Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccccc1	ZINC000001621486	571161096	/nfs/dbraw/zinc/16/10/96/571161096.db2.gz	UHVYJKJATGZLQR-UHFFFAOYSA-N	0	0	364.313	4.389	40	5		FIBBRN
O=C(Nc1cccc(C(F)(F)F)c1)n1ncc2cc([N+](=O)[O-])ccc21	ZINC000016399409	571179207	/nfs/dbraw/zinc/17/92/07/571179207.db2.gz	ZOAYZVQIBHXJEF-UHFFFAOYSA-N	0	0	350.256	4.044	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)cc1	ZINC000015270879	571186786	/nfs/dbraw/zinc/18/67/86/571186786.db2.gz	INJFDZBBSNOOMX-UHFFFAOYSA-N	0	0	366.826	4.129	40	5		FIBBRN
CCCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC	ZINC000224442816	571205031	/nfs/dbraw/zinc/20/50/31/571205031.db2.gz	MUBMQGJNOPGPTK-UHFFFAOYSA-N	0	0	372.421	4.481	40	5		FIBBRN
Cc1ccc(-c2noc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1	ZINC000007605272	571299243	/nfs/dbraw/zinc/29/92/43/571299243.db2.gz	NHYSIGRYVWRNIW-UHFFFAOYSA-N	0	0	358.335	4.013	40	5		FIBBRN
O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1	ZINC000069147157	571322467	/nfs/dbraw/zinc/32/24/67/571322467.db2.gz	DJOBYXPPOZTEMR-UHFFFAOYSA-N	0	0	360.413	4.366	40	5		FIBBRN
CCOC(=O)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000022516146	571336983	/nfs/dbraw/zinc/33/69/83/571336983.db2.gz	ISPWBATYMQIIOZ-RMKNXTFCSA-N	0	0	374.780	4.077	40	5		FIBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1snnc1-c1ccc(Cl)cc1	ZINC000225770785	571338220	/nfs/dbraw/zinc/33/82/20/571338220.db2.gz	APENBWQONBDRGS-UHFFFAOYSA-N	0	0	360.782	4.019	40	5		FIBBRN
CCn1c(Cc2ccccc2)nnc1SCc1ccccc1[N+](=O)[O-]	ZINC000008090649	571358860	/nfs/dbraw/zinc/35/88/60/571358860.db2.gz	IOUVKGGHRRTOHA-UHFFFAOYSA-N	0	0	354.435	4.089	40	5		FIBBRN
Cc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000004361186	207015282	/nfs/dbraw/zinc/01/52/82/207015282.db2.gz	KTXBMLBDEPRORG-UHFFFAOYSA-N	0	0	355.177	4.228	40	5		FIBBRN
O=C(c1ccc([N+](=O)[O-])cc1)c1[nH]c2ccccc2c(=O)c1-c1ccccc1	ZINC000004962584	207066067	/nfs/dbraw/zinc/06/60/67/207066067.db2.gz	DUTKSDZPZTZNIW-UHFFFAOYSA-N	0	0	370.364	4.334	40	5		FIBBRN
O=C(CN(c1ccccc1)C1=NCCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000008436120	207234137	/nfs/dbraw/zinc/23/41/37/207234137.db2.gz	FHVWXEHVQVGSRS-UHFFFAOYSA-N	0	0	351.406	4.257	40	5		FIBBRN
Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000022245933	207801839	/nfs/dbraw/zinc/80/18/39/207801839.db2.gz	PUQSNXXBNRVZDT-UHFFFAOYSA-N	0	0	372.381	4.495	40	5		FIBBRN
CC(=O)CCc1cc2c(cc1[N+](=O)[O-])CC[C@H](C)N2C(=O)c1ccccc1	ZINC000003844796	132385747	/nfs/dbraw/zinc/38/57/47/132385747.db2.gz	DYKXCHXTHNNZGD-AWEZNQCLSA-N	0	0	366.417	4.098	40	5		FIBBRN
Cc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000006028017	263344065	/nfs/dbraw/zinc/34/40/65/263344065.db2.gz	DZRIKPOQTPKDSK-UHFFFAOYSA-N	0	0	359.432	4.244	40	5		FIBBRN
CCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	ZINC000006758819	263346566	/nfs/dbraw/zinc/34/65/66/263346566.db2.gz	OHPMBICDTNZTDM-UHFFFAOYSA-N	0	0	369.402	4.369	40	5		FIBBRN
Cc1ccc(Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1	ZINC000409080851	263522607	/nfs/dbraw/zinc/52/26/07/263522607.db2.gz	OAEDSYFPHOSLSE-UHFFFAOYSA-N	0	0	374.352	4.496	40	5		FIBBRN
CCOc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000218119563	520947766	/nfs/dbraw/zinc/94/77/66/520947766.db2.gz	VFTZRHKUZIHJLG-UHFFFAOYSA-N	0	0	362.813	4.010	40	5		FIBBRN
Cc1ccc(S(=O)(=O)NN=c2c3ccccc3ccc3ccccc32)cc1	ZINC000001584186	570502155	/nfs/dbraw/zinc/50/21/55/570502155.db2.gz	ZMJJUKPEGVGLFP-UHFFFAOYSA-N	0	0	374.465	4.096	40	5		FIBBRN
Cc1ccc(C(=O)Nc2cc(N3CCCC3)c([N+](=O)[O-])cc2Cl)cc1	ZINC000072229118	570535181	/nfs/dbraw/zinc/53/51/81/570535181.db2.gz	ZQINOJIUEOQPJZ-UHFFFAOYSA-N	0	0	359.813	4.409	40	5		FIBBRN
Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)n1	ZINC000061132759	570567454	/nfs/dbraw/zinc/56/74/54/570567454.db2.gz	UFHXMKPJHJJXNK-UHFFFAOYSA-N	0	0	364.405	4.017	40	5		FIBBRN
CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	ZINC000408561317	570568382	/nfs/dbraw/zinc/56/83/82/570568382.db2.gz	HRMLNKDMKWODEZ-VXPUYCOJSA-N	0	0	367.430	4.194	40	5		FIBBRN
O=C(NCCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408905915	570576705	/nfs/dbraw/zinc/57/67/05/570576705.db2.gz	AXZHMGFUDOABJC-OQKWZONESA-N	0	0	372.424	4.494	40	5		FIBBRN
O=C1Nc2ccccc2S/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000409103738	570581615	/nfs/dbraw/zinc/58/16/15/570581615.db2.gz	FIJPEBDCXQWYSD-LDADJPATSA-N	0	0	367.430	4.280	40	5		FIBBRN
Cc1cc(-c2ccccc2)nc(Sc2ccc(C=O)cc2[N+](=O)[O-])n1	ZINC000409386788	570588129	/nfs/dbraw/zinc/58/81/29/570588129.db2.gz	XSCSZBNMUJWVEU-UHFFFAOYSA-N	0	0	351.387	4.324	40	5		FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl	ZINC000005511863	570665857	/nfs/dbraw/zinc/66/58/57/570665857.db2.gz	JUZWXRWNDWFEKO-UHFFFAOYSA-N	0	0	356.121	4.062	40	5		FIBBRN
COc1ccc(-c2sc(NC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408823397	570690011	/nfs/dbraw/zinc/69/00/11/570690011.db2.gz	FCPNILFAQWQOGU-UHFFFAOYSA-N	0	0	369.402	4.352	40	5		FIBBRN
CC1CCN(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1	ZINC000408906342	570697009	/nfs/dbraw/zinc/69/70/09/570697009.db2.gz	GKTDRYMEUISYMU-HMMYKYKNSA-N	0	0	350.418	4.394	40	5		FIBBRN
Cc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)s1	ZINC000408916905	570698537	/nfs/dbraw/zinc/69/85/37/570698537.db2.gz	IKQDVTKOZFPMDD-RIYZIHGNSA-N	0	0	360.416	4.201	40	5		FIBBRN
O=Cc1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409084608	570720190	/nfs/dbraw/zinc/72/01/90/570720190.db2.gz	VSSVEUSBAAIDNB-UHFFFAOYSA-N	0	0	357.105	4.415	40	5		FIBBRN
O=C1S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1c1cccc(Cl)c1	ZINC000409213547	570741421	/nfs/dbraw/zinc/74/14/21/570741421.db2.gz	SBNLNLLPKOSQEU-YRNVUSSQSA-N	0	0	350.739	4.082	40	5		FIBBRN
CCn1c2ccccc2nc1SCC(=O)Nc1ccc(C)cc1[N+](=O)[O-]	ZINC000004484596	570774148	/nfs/dbraw/zinc/77/41/48/570774148.db2.gz	BNURHMJFEYIMMA-UHFFFAOYSA-N	0	0	370.434	4.004	40	5		FIBBRN
Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000214983951	570872241	/nfs/dbraw/zinc/87/22/41/570872241.db2.gz	CSRBUADLDZAURD-MHWRWJLKSA-N	0	0	354.387	4.140	40	5		FIBBRN
C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2	ZINC000223153288	571050366	/nfs/dbraw/zinc/05/03/66/571050366.db2.gz	RFZHQSRMJXQPCA-AWEZNQCLSA-N	0	0	370.474	4.194	40	5		FIBBRN
CC1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2O1	ZINC000013674893	571110801	/nfs/dbraw/zinc/11/08/01/571110801.db2.gz	DPJRHONPOLVHEP-HNNXBMFYSA-N	0	0	360.797	4.280	40	5		FIBBRN
O=[N+]([O-])c1ccc(/C(=C\c2ccccc2)S(=O)(=O)c2ccccc2)o1	ZINC000025539320	571148751	/nfs/dbraw/zinc/14/87/51/571148751.db2.gz	NWOABECMBHUHHH-GHRIWEEISA-N	0	0	355.371	4.160	40	5		FIBBRN
CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000224416554	571203324	/nfs/dbraw/zinc/20/33/24/571203324.db2.gz	AUCUTTRKKSMYPZ-LJQANCHMSA-N	0	0	354.406	4.270	40	5		FIBBRN
CCN(c1cccc(Cl)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225082130	571293893	/nfs/dbraw/zinc/29/38/93/571293893.db2.gz	ZHNYCFTXRWTJNB-UHFFFAOYSA-N	0	0	368.842	4.080	40	5		FIBBRN
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000005941658	571295120	/nfs/dbraw/zinc/29/51/20/571295120.db2.gz	VHRCIRZJUXUVGP-UHFFFAOYSA-N	0	0	368.414	4.371	40	5		FIBBRN
O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000006269009	571295579	/nfs/dbraw/zinc/29/55/79/571295579.db2.gz	CNPPNZLTUUHCLO-UHFFFAOYSA-N	0	0	363.776	4.240	40	5		FIBBRN
CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000008040958	571299963	/nfs/dbraw/zinc/29/99/63/571299963.db2.gz	IFJGDNCFFZJTCP-HNNXBMFYSA-N	0	0	364.785	4.053	40	5		FIBBRN
Cc1cc(C(=O)NCCSc2ccc(Cl)cc2)ccc1[N+](=O)[O-]	ZINC000008125100	571300541	/nfs/dbraw/zinc/30/05/41/571300541.db2.gz	UVJCTOFVLWMMMM-UHFFFAOYSA-N	0	0	350.827	4.079	40	5		FIBBRN
Cc1ccc(NC(=O)CSc2cccc3cccnc32)cc1[N+](=O)[O-]	ZINC000057468890	571306521	/nfs/dbraw/zinc/30/65/21/571306521.db2.gz	SZGCLXIHYGJSRN-UHFFFAOYSA-N	0	0	353.403	4.182	40	5		FIBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nc3ccccc3[nH]2)cc1	ZINC000225257847	571318264	/nfs/dbraw/zinc/31/82/64/571318264.db2.gz	SPLMDGGTFZWJAF-UHFFFAOYSA-N	0	0	358.357	4.390	40	5		FIBBRN
O=[N+]([O-])c1cc(F)ccc1Nc1cc(Cl)nc(-c2cccc(F)c2)n1	ZINC000328961486	571326443	/nfs/dbraw/zinc/32/64/43/571326443.db2.gz	BDGCDNQURJQGAW-UHFFFAOYSA-N	0	0	362.723	4.149	40	5		FIBBRN
CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000020450880	571329553	/nfs/dbraw/zinc/32/95/53/571329553.db2.gz	VXUIQIVMRCAQRW-BJMVGYQFSA-N	0	0	374.780	4.077	40	5		FIBBRN
O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000003465596	571350138	/nfs/dbraw/zinc/35/01/38/571350138.db2.gz	UOJBDHAWVLTVHB-UHFFFAOYSA-N	0	0	361.353	4.302	40	5		FIBBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)CC(C)(C)O2	ZINC000217942544	571351678	/nfs/dbraw/zinc/35/16/78/571351678.db2.gz	CTXWQWKUXBFPOF-MRXNPFEDSA-N	0	0	354.406	4.244	40	5		FIBBRN
O=[N+]([O-])c1ccc(N2CCCC2)c([C@@H]2OCCCN2Cc2ccccc2)c1	ZINC000059489903	571357457	/nfs/dbraw/zinc/35/74/57/571357457.db2.gz	OVWKVXLKHAYGFV-NRFANRHFSA-N	0	0	367.449	4.116	40	5		FIBBRN
COC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000226319243	209367279	/nfs/dbraw/zinc/36/72/79/209367279.db2.gz	OLVRNWKTUIEHNV-UHFFFAOYSA-N	0	0	356.161	4.267	40	5		FIBBRN
CCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCC	ZINC000000936406	206684832	/nfs/dbraw/zinc/68/48/32/206684832.db2.gz	VOVBAWKVLKQTOK-DHZHZOJOSA-N	0	0	370.405	4.353	40	5		FIBBRN
CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1c2ccccc2cc2ccccc21	ZINC000005247337	207089792	/nfs/dbraw/zinc/08/97/92/207089792.db2.gz	LFXWUOHCVXGABP-HXUWFJFHSA-N	0	0	360.413	4.184	40	5		FIBBRN
O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)C12CC3CC(CC(C3)C1)C2	ZINC000006226589	207134485	/nfs/dbraw/zinc/13/44/85/207134485.db2.gz	XOXJGFFLYRDDOG-UHFFFAOYSA-N	0	0	357.435	4.359	40	5		FIBBRN
Cc1cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)ccc1[N+](=O)[O-]	ZINC000006266347	207136591	/nfs/dbraw/zinc/13/65/91/207136591.db2.gz	NCTFKYNIBYSNCC-UHFFFAOYSA-N	0	0	374.356	4.359	40	5		FIBBRN
O=C(c1ccccc1)c1ccc(SCCCCCCO)c([N+](=O)[O-])c1	ZINC000006344056	207136827	/nfs/dbraw/zinc/13/68/27/207136827.db2.gz	AIFLWFVLGQPSTC-UHFFFAOYSA-N	0	0	359.447	4.471	40	5		FIBBRN
Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-]	ZINC000008791323	207250111	/nfs/dbraw/zinc/25/01/11/207250111.db2.gz	RNOJEZMOJZBIAD-UHFFFAOYSA-N	0	0	374.809	4.327	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1	ZINC000014207177	207513420	/nfs/dbraw/zinc/51/34/20/207513420.db2.gz	GZXCUOBRCXDSBI-UHFFFAOYSA-N	0	0	369.352	4.269	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(-c2ccccc2)cc1	ZINC000019159387	207644714	/nfs/dbraw/zinc/64/47/14/207644714.db2.gz	VJBJOGYWGRPOQB-UHFFFAOYSA-N	0	0	362.385	4.452	40	5		FIBBRN
COc1cc(OC)cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1	ZINC000072229484	208826290	/nfs/dbraw/zinc/82/62/90/208826290.db2.gz	YULSKLSFDFAEFC-UHFFFAOYSA-N	0	0	371.176	4.171	40	5		FIBBRN
COc1cc2c(C)c3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C	ZINC000001104937	132380113	/nfs/dbraw/zinc/38/01/13/132380113.db2.gz	RBCAXOSUUINIHP-UHFFFAOYSA-N	0	0	367.445	4.328	40	5	biogenic,in-vitro	FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000006225154	263344486	/nfs/dbraw/zinc/34/44/86/263344486.db2.gz	ADDLYPZQZGSDBH-UHFFFAOYSA-N	0	0	353.290	4.015	40	5		FIBBRN
Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408571317	263473425	/nfs/dbraw/zinc/47/34/25/263473425.db2.gz	AGWQAIFTPQBZFF-QPJJXVBHSA-N	0	0	374.809	4.213	40	5		FIBBRN
Cc1cc(C)cc(OCc2nnc(SCc3cccc([N+](=O)[O-])c3)o2)c1	ZINC000019928343	524454514	/nfs/dbraw/zinc/45/45/14/524454514.db2.gz	OELFYSHNUPDNTF-UHFFFAOYSA-N	0	0	371.418	4.466	40	5		FIBBRN
Cc1ccccc1OCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl	ZINC000072229490	570535340	/nfs/dbraw/zinc/53/53/40/570535340.db2.gz	UDFMZVVRXRBALN-UHFFFAOYSA-N	0	0	355.177	4.228	40	5		FIBBRN
O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1	ZINC000210199572	570537680	/nfs/dbraw/zinc/53/76/80/570537680.db2.gz	IQLNBKWDZQTQBZ-RIYZIHGNSA-N	0	0	360.778	4.489	40	5		FIBBRN
O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000221281416	570548513	/nfs/dbraw/zinc/54/85/13/570548513.db2.gz	IGTDONZKXLHTFF-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
CC(C)c1ccc(NC(=O)c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)cc1	ZINC000408531920	570567145	/nfs/dbraw/zinc/56/71/45/570567145.db2.gz	MVBZPRYFCHXGAB-UHFFFAOYSA-N	0	0	362.389	4.428	40	5		FIBBRN
O=C(COc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Br	ZINC000007342111	570586554	/nfs/dbraw/zinc/58/65/54/570586554.db2.gz	WHHZHRPZGSLREF-UHFFFAOYSA-N	0	0	370.586	4.272	40	5		FIBBRN
COC(=O)c1ccc(NC(=O)Nc2cc3ccncc3c3ncccc23)cc1	ZINC000408976189	570706333	/nfs/dbraw/zinc/70/63/33/570706333.db2.gz	QFTQXEUIAWWFPF-UHFFFAOYSA-N	0	0	372.384	4.214	40	5		FIBBRN
CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O	ZINC000409065567	570718518	/nfs/dbraw/zinc/71/85/18/570718518.db2.gz	HPFRXFSHMGNQAY-DHDCSXOGSA-N	0	0	358.375	4.219	40	5		FIBBRN
Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)c(C)c1	ZINC000409108288	570726863	/nfs/dbraw/zinc/72/68/63/570726863.db2.gz	ZKKHLWPOQGLTSH-UHFFFAOYSA-N	0	0	354.435	4.393	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc(F)cc2[C@@H]2OCCC[C@H]12	ZINC000008165902	570795011	/nfs/dbraw/zinc/79/50/11/570795011.db2.gz	JRFRVBQBBVLNTO-UPRAQXHNSA-N	0	0	358.369	4.377	40	5		FIBBRN
Cc1ccsc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000205658193	570881707	/nfs/dbraw/zinc/88/17/07/570881707.db2.gz	IKUSPWMBPATXCV-RIYZIHGNSA-N	0	0	360.416	4.201	40	5		FIBBRN
CCOc1ccccc1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000013668951	571110488	/nfs/dbraw/zinc/11/04/88/571110488.db2.gz	JKOAYPRGRBLWPU-UHFFFAOYSA-N	0	0	362.813	4.010	40	5		FIBBRN
CC(C)(C)c1ccccc1OCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000223665215	571160597	/nfs/dbraw/zinc/16/05/97/571160597.db2.gz	XCSUMDFHZXCCCF-VAWYXSNFSA-N	0	0	368.433	4.101	40	5		FIBBRN
O=CN(Cc1ccccc1)c1cc([N+](=O)[O-])ccc1OCc1ccccc1	ZINC000001705717	571165890	/nfs/dbraw/zinc/16/58/90/571165890.db2.gz	CYXGOCNYQKVIFN-UHFFFAOYSA-N	0	0	362.385	4.337	40	5		FIBBRN
CCCCCC[C@H](C)N(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710532	571166473	/nfs/dbraw/zinc/16/64/73/571166473.db2.gz	UZDKXNDIXKKXEQ-HNNXBMFYSA-N	0	0	350.459	4.167	40	5		FIBBRN
CCC1(CC)C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1	ZINC000224827171	571281808	/nfs/dbraw/zinc/28/18/08/571281808.db2.gz	BADZFNUMTDKVEC-KRWDZBQOSA-N	0	0	354.406	4.407	40	5		FIBBRN
O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl	ZINC000214089400	571292653	/nfs/dbraw/zinc/29/26/53/571292653.db2.gz	VPQOYUNJAVOROF-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000052410569	571306403	/nfs/dbraw/zinc/30/64/03/571306403.db2.gz	RRJDHCNFJXUSBP-RMKNXTFCSA-N	0	0	373.796	4.249	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2	ZINC000225140715	571311694	/nfs/dbraw/zinc/31/16/94/571311694.db2.gz	RPVNBBTZIKOOKY-AWEZNQCLSA-N	0	0	354.406	4.188	40	5		FIBBRN
CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)c(C)c1	ZINC000225499405	571322502	/nfs/dbraw/zinc/32/25/02/571322502.db2.gz	JSPPNOOUTYCBMB-MRXNPFEDSA-N	0	0	362.813	4.446	40	5		FIBBRN
Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1	ZINC000002737011	571340623	/nfs/dbraw/zinc/34/06/23/571340623.db2.gz	ZHKACLNYECLESD-UHFFFAOYSA-N	0	0	370.796	4.054	40	5		FIBBRN
CC1(C)C[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2O1	ZINC000217888140	571351418	/nfs/dbraw/zinc/35/14/18/571351418.db2.gz	BVOXGGGUKREOPV-DVQDXYAYSA-N	0	0	352.390	4.027	40	5		FIBBRN
CC1(C)C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2O1	ZINC000217894319	571351461	/nfs/dbraw/zinc/35/14/61/571351461.db2.gz	BGANJKFILKYHQI-KQPPXVQYSA-N	0	0	352.390	4.027	40	5		FIBBRN
COc1ccc(NC(=O)CCCOc2ccc(C)cc2C)c([N+](=O)[O-])c1	ZINC000004056811	571354600	/nfs/dbraw/zinc/35/46/00/571354600.db2.gz	ZLGXFWAMPCISMC-UHFFFAOYSA-N	0	0	358.394	4.018	40	5		FIBBRN
Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1	ZINC000059294031	571356683	/nfs/dbraw/zinc/35/66/83/571356683.db2.gz	SOXTWBIYCYRTEZ-UHFFFAOYSA-N	0	0	353.422	4.392	40	5		FIBBRN
CCCCOc1ccc(C2=N/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1	ZINC000008180080	571359651	/nfs/dbraw/zinc/35/96/51/571359651.db2.gz	IYVRRHXOXBZAHC-LGMDPLHJSA-N	0	0	366.373	4.118	40	5		FIBBRN
CCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC	ZINC000224708287	209789498	/nfs/dbraw/zinc/78/94/98/209789498.db2.gz	GUDKFTYFJADKEM-UHFFFAOYSA-N	0	0	358.394	4.172	40	5		FIBBRN
O=C1S/C(=C\C=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1	ZINC000001188390	209385342	/nfs/dbraw/zinc/38/53/42/209385342.db2.gz	JFQFXQJPASRHRQ-PFKGSKDKSA-N	0	0	352.371	4.392	40	5		FIBBRN
CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000000862102	209378665	/nfs/dbraw/zinc/37/86/65/209378665.db2.gz	UHKOIOLBKJKVQD-UHFFFAOYSA-N	0	0	354.435	4.474	40	5		FIBBRN
Cc1c(SC(Cl)(Cl)Cl)cc([N+](=O)[O-])c(N(C)C)c1[N+](=O)[O-]	ZINC000004821637	207051048	/nfs/dbraw/zinc/05/10/48/207051048.db2.gz	TYRNLJGUAQYKGY-UHFFFAOYSA-N	0	0	374.633	4.297	40	5		FIBBRN
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2	ZINC000005046123	207074781	/nfs/dbraw/zinc/07/47/81/207074781.db2.gz	BFZTUMLBYZXNHR-VBHSOAQHSA-N	0	0	362.382	4.122	40	5		FIBBRN
Cc1cccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000021125551	207764460	/nfs/dbraw/zinc/76/44/60/207764460.db2.gz	MXMMUMHAAHEOBS-UHFFFAOYSA-N	0	0	350.827	4.429	40	5		FIBBRN
Cc1ccc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1	ZINC000024256083	207864203	/nfs/dbraw/zinc/86/42/03/207864203.db2.gz	PKDQFPICJXTVPJ-JOCHJYFZSA-N	0	0	360.413	4.352	40	5		FIBBRN
CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000030872680	208007467	/nfs/dbraw/zinc/00/74/67/208007467.db2.gz	HXDZIBAHBCXJGT-INIZCTEOSA-N	0	0	364.785	4.053	40	5		FIBBRN
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000038756420	208205828	/nfs/dbraw/zinc/20/58/28/208205828.db2.gz	URKLLWXNNFRBNB-QGZVFWFLSA-N	0	0	358.394	4.016	40	5		FIBBRN
CC(C)(C)c1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1	ZINC000040169547	208241281	/nfs/dbraw/zinc/24/12/81/208241281.db2.gz	LGKDJGSNHSXVOW-UHFFFAOYSA-N	0	0	352.394	4.256	40	5		FIBBRN
COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C	ZINC000001092562	132252352	/nfs/dbraw/zinc/25/23/52/132252352.db2.gz	RZUHGAKUNBFQJS-UHFFFAOYSA-N	0	0	353.418	4.020	40	5	biogenic,in-vitro	FIBBRN
CC(C)c1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1	ZINC000002468603	132383605	/nfs/dbraw/zinc/38/36/05/132383605.db2.gz	KCVGXGWEXJYBTE-PXNSSMCTSA-N	0	0	367.405	4.488	40	5		FIBBRN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccnc1Cl	ZINC000009141293	263360336	/nfs/dbraw/zinc/36/03/36/263360336.db2.gz	KQNIVPYHRLBEOB-UHFFFAOYSA-N	0	0	360.782	4.019	40	5		FIBBRN
O=C(c1cccs1)N(CCOc1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000059488855	263421237	/nfs/dbraw/zinc/42/12/37/263421237.db2.gz	KLEBWJABEICYQE-UHFFFAOYSA-N	0	0	368.414	4.382	40	5		FIBBRN
Cc1ccc(SC(=O)NCCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000019894537	525640633	/nfs/dbraw/zinc/64/06/33/525640633.db2.gz	CTPPNOVWIUECKV-UHFFFAOYSA-N	0	0	366.826	4.437	40	5		FIBBRN
CCOc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1	ZINC000408559303	570567809	/nfs/dbraw/zinc/56/78/09/570567809.db2.gz	VBBLCSNQODCCCY-UHFFFAOYSA-N	0	0	351.200	4.368	40	5		FIBBRN
COc1cc(Cl)c([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OC	ZINC000408566015	570568105	/nfs/dbraw/zinc/56/81/05/570568105.db2.gz	DOKBUOCMZRPBMW-CQSZACIVSA-N	0	0	360.797	4.247	40	5		FIBBRN
Cc1ccccc1CSCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408563738	570568192	/nfs/dbraw/zinc/56/81/92/570568192.db2.gz	OXXFPBZKYNZSHU-UHFFFAOYSA-N	0	0	364.854	4.220	40	5		FIBBRN
CCCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC	ZINC000408567057	570568275	/nfs/dbraw/zinc/56/82/75/570568275.db2.gz	KSHGJCRNGAWLBP-PKNBQFBNSA-N	0	0	370.405	4.434	40	5		FIBBRN
COc1c(C)cccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000408622653	570570782	/nfs/dbraw/zinc/57/07/82/570570782.db2.gz	QIEIOIVDRPXIMH-UHFFFAOYSA-N	0	0	369.402	4.288	40	5		FIBBRN
O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CCSCC1	ZINC000408976791	570706616	/nfs/dbraw/zinc/70/66/16/570706616.db2.gz	TYNKKIBEFPZNJP-UHFFFAOYSA-N	0	0	365.483	4.187	40	5		FIBBRN
O=C(c1ccc2nc3ccccc3nc2c1)N1CC[C@H](c2ccccc2)C1	ZINC000408977301	570707023	/nfs/dbraw/zinc/70/70/23/570707023.db2.gz	VGYRINFPKYVHOL-SFHVURJKSA-N	0	0	353.425	4.413	40	5		FIBBRN
O=c1nc2c3ccccc3/c(=C\c3ccccc3)n2c2sc3c(c21)CCC3	ZINC000016740310	570861204	/nfs/dbraw/zinc/86/12/04/570861204.db2.gz	BZTULXMWDVTRIW-QGOAFFKASA-N	0	0	368.461	4.099	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	ZINC000225467708	571037922	/nfs/dbraw/zinc/03/79/22/571037922.db2.gz	HVDDKHMXEOWXNQ-AWEZNQCLSA-N	0	0	372.421	4.441	40	5		FIBBRN
CCN(CC)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1	ZINC000006629923	571237153	/nfs/dbraw/zinc/23/71/53/571237153.db2.gz	BQAJHNPSEGPGED-UHFFFAOYSA-N	0	0	357.410	4.010	40	5		FIBBRN
CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224778376	571280121	/nfs/dbraw/zinc/28/01/21/571280121.db2.gz	WYPOFAOLHRNCFR-UHFFFAOYSA-N	0	0	368.842	4.080	40	5		FIBBRN
CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225081413	571293887	/nfs/dbraw/zinc/29/38/87/571293887.db2.gz	BJONIQMJQNPSRO-UHFFFAOYSA-N	0	0	368.842	4.080	40	5		FIBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc2cccnc2c2ncccc12	ZINC000006494521	571296627	/nfs/dbraw/zinc/29/66/27/571296627.db2.gz	CIFWPKSXVVGQTD-UHFFFAOYSA-N	0	0	359.345	4.335	40	5		FIBBRN
O=Cc1ccc(-c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)o1	ZINC000113854851	571321187	/nfs/dbraw/zinc/32/11/87/571321187.db2.gz	CQRFHIKPVMTCNK-UHFFFAOYSA-N	0	0	351.314	4.024	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1C(C)C	ZINC000020038435	571327833	/nfs/dbraw/zinc/32/78/33/571327833.db2.gz	AIHQSPJSMJRVLT-ZDUSSCGKSA-N	0	0	358.394	4.133	40	5		FIBBRN
COc1ccc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000021116982	571332728	/nfs/dbraw/zinc/33/27/28/571332728.db2.gz	SROJYUKIOWYDKY-JTQLQIEISA-N	0	0	366.826	4.376	40	5		FIBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1	ZINC000217893799	571351441	/nfs/dbraw/zinc/35/14/41/571351441.db2.gz	LGQRTSVJBKAUQO-NTCAYCPXSA-N	0	0	372.380	4.478	40	5		FIBBRN
Cc1cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1[N+](=O)[O-]	ZINC000218130866	571352517	/nfs/dbraw/zinc/35/25/17/571352517.db2.gz	ZMMZRJIBCSIRSC-UHFFFAOYSA-N	0	0	360.369	4.387	40	5		FIBBRN
Cc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])c(C)cc2c1	ZINC000004126620	571355746	/nfs/dbraw/zinc/35/57/46/571355746.db2.gz	CODWCZPTSNPUOJ-UHFFFAOYSA-N	0	0	367.430	4.491	40	5		FIBBRN
CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)c(C)c1	ZINC000225288854	209804645	/nfs/dbraw/zinc/80/46/45/209804645.db2.gz	FBXLXACLEBKPFX-OAHLLOKOSA-N	0	0	362.813	4.446	40	5		FIBBRN
CCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC	ZINC000224710840	209790298	/nfs/dbraw/zinc/79/02/98/209790298.db2.gz	IBADOYWBAVWPFV-UHFFFAOYSA-N	0	0	372.421	4.481	40	5		FIBBRN
Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000005546553	209504593	/nfs/dbraw/zinc/50/45/93/209504593.db2.gz	VTQHEDSVIRAGIW-SOFGYWHQSA-N	0	0	361.195	4.318	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(Cl)cc1Cl	ZINC000105836717	209268831	/nfs/dbraw/zinc/26/88/31/209268831.db2.gz	JMIDQRJWRYYYNU-UHFFFAOYSA-N	0	0	369.204	4.482	40	5		FIBBRN
O=[N+]([O-])c1cccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)c1	ZINC000096193802	209132102	/nfs/dbraw/zinc/13/21/02/209132102.db2.gz	WFMRHKSYHWHYSS-UHFFFAOYSA-N	0	0	363.358	4.174	40	5		FIBBRN
O=C(Nc1ccccc1OC(F)(F)F)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000002380602	206912301	/nfs/dbraw/zinc/91/23/01/206912301.db2.gz	HLUFLZRPFOCYKH-UHFFFAOYSA-N	0	0	362.210	4.024	40	5		FIBBRN
Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1	ZINC000002755984	206931779	/nfs/dbraw/zinc/93/17/79/206931779.db2.gz	GZUOQTBOZCIYDG-UHFFFAOYSA-N	0	0	370.796	4.054	40	5		FIBBRN
Cc1ccccc1N1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@@H]2C	ZINC000004193170	132386508	/nfs/dbraw/zinc/38/65/08/132386508.db2.gz	WOKWOXLNVYXFJG-LWLIDHTLSA-N	0	0	369.446	4.084	40	5		FIBBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CC(C)(C)O2	ZINC000218131928	568218209	/nfs/dbraw/zinc/21/82/09/568218209.db2.gz	WIXATWUGUPRSSX-MRXNPFEDSA-N	0	0	354.406	4.244	40	5		FIBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Br)o1	ZINC000072228660	570535252	/nfs/dbraw/zinc/53/52/52/570535252.db2.gz	VNSGNNRKJVJDRV-UHFFFAOYSA-N	0	0	353.172	4.073	40	5		FIBBRN
CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408562460	570568005	/nfs/dbraw/zinc/56/80/05/570568005.db2.gz	PSEHCTGDNSTISA-VXPUYCOJSA-N	0	0	367.430	4.194	40	5		FIBBRN
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1O	ZINC000408607356	570578458	/nfs/dbraw/zinc/57/84/58/570578458.db2.gz	LFJXSORALLWASG-UHFFFAOYSA-N	0	0	367.199	4.074	40	5		FIBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)cc1	ZINC000179152702	570628865	/nfs/dbraw/zinc/62/88/65/570628865.db2.gz	HOLNYIPRGUKPQE-UHFFFAOYSA-N	0	0	371.462	4.067	40	5		FIBBRN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005427533	570654658	/nfs/dbraw/zinc/65/46/58/570654658.db2.gz	SMNJMHVOFVFPAV-UHFFFAOYSA-N	0	0	356.121	4.062	40	5		FIBBRN
CN(C)c1ccc(NC(=O)Nc2cc3ccncc3c3ncccc23)cc1	ZINC000408976148	570706336	/nfs/dbraw/zinc/70/63/36/570706336.db2.gz	PQUFREKLOZTURZ-UHFFFAOYSA-N	0	0	357.417	4.493	40	5		FIBBRN
COc1ccc(N(C)C(=O)Nc2cc3ccncc3c3ncccc23)cc1	ZINC000408977546	570706959	/nfs/dbraw/zinc/70/69/59/570706959.db2.gz	WPGLSYCWSHVISB-UHFFFAOYSA-N	0	0	358.401	4.460	40	5		FIBBRN
COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000014258311	570846480	/nfs/dbraw/zinc/84/64/80/570846480.db2.gz	ZHMATZHIWTYLIP-UHFFFAOYSA-N	0	0	355.177	4.471	40	5		FIBBRN
O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1	ZINC000039860698	571065543	/nfs/dbraw/zinc/06/55/43/571065543.db2.gz	BMQWKWGLNBBKQB-ZROIWOOFSA-N	0	0	360.778	4.489	40	5		FIBBRN
COc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-]	ZINC000001440955	571104004	/nfs/dbraw/zinc/10/40/04/571104004.db2.gz	LIOBMLPBXAKZMS-UHFFFAOYSA-N	0	0	358.247	4.014	40	5		FIBBRN
O=C(NCCCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013669813	571110484	/nfs/dbraw/zinc/11/04/84/571110484.db2.gz	JTKQPUXONVDEMP-UHFFFAOYSA-N	0	0	353.205	4.264	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc2ccccc21	ZINC000013709314	571111288	/nfs/dbraw/zinc/11/12/88/571111288.db2.gz	RAQGGINXPUKLGC-AWEZNQCLSA-N	0	0	350.374	4.462	40	5		FIBBRN
CCOc1ccc(N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000001469664	571114824	/nfs/dbraw/zinc/11/48/24/571114824.db2.gz	YMLIYQCDEKCXHQ-WJDWOHSUSA-N	0	0	370.386	4.234	40	5		FIBBRN
Cc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-]	ZINC000223436957	571121831	/nfs/dbraw/zinc/12/18/31/571121831.db2.gz	MSLFVTOWFDDTPG-UHFFFAOYSA-N	0	0	356.422	4.010	40	5		FIBBRN
O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000205659369	571140986	/nfs/dbraw/zinc/14/09/86/571140986.db2.gz	DDNPZTVMLHLVQW-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1	ZINC000001621488	571161154	/nfs/dbraw/zinc/16/11/54/571161154.db2.gz	JEGGYZADOPBYJU-UHFFFAOYSA-N	0	0	369.398	4.338	40	5		FIBBRN
O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)cc1	ZINC000016492310	571197159	/nfs/dbraw/zinc/19/71/59/571197159.db2.gz	APROHBZOOLFDDP-UHFFFAOYSA-N	0	0	367.430	4.222	40	5		FIBBRN
CC(C)c1ncc([N+](=O)[O-])n1C(=S)Nc1ccc(Cl)cc1Cl	ZINC000016576030	571201589	/nfs/dbraw/zinc/20/15/89/571201589.db2.gz	NCBDBFISRWBTOI-UHFFFAOYSA-N	0	0	359.238	4.467	40	5		FIBBRN
O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000215025020	571293674	/nfs/dbraw/zinc/29/36/74/571293674.db2.gz	MSXHJDYBRCXVAI-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc2ccccc21	ZINC000009062428	571302342	/nfs/dbraw/zinc/30/23/42/571302342.db2.gz	YLGUBKPHHIWBAZ-UHFFFAOYSA-N	0	0	360.329	4.050	40	5		FIBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000217889114	571351433	/nfs/dbraw/zinc/35/14/33/571351433.db2.gz	QDSNJFYYUCVVTQ-LNENJAERSA-N	0	0	366.417	4.335	40	5		FIBBRN
CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000059471939	571357361	/nfs/dbraw/zinc/35/73/61/571357361.db2.gz	BSSWBXMZGCLMLC-AWNIVKPZSA-N	0	0	368.433	4.101	40	5		FIBBRN
CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224783281	209792518	/nfs/dbraw/zinc/79/25/18/209792518.db2.gz	GJINKOVZNZEZAR-UHFFFAOYSA-N	0	0	362.451	4.044	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1cccc2ccccc21	ZINC000222666260	209732027	/nfs/dbraw/zinc/73/20/27/209732027.db2.gz	PYGFGWJOLZGIIM-UHFFFAOYSA-N	0	0	350.374	4.328	40	5		FIBBRN
Cc1c(C(=O)Nc2ccc(Br)cc2F)cccc1[N+](=O)[O-]	ZINC000005532796	209506258	/nfs/dbraw/zinc/50/62/58/209506258.db2.gz	BZSNKPKSURXVLS-UHFFFAOYSA-N	0	0	353.147	4.057	40	5		FIBBRN
CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	ZINC000226334852	209366923	/nfs/dbraw/zinc/36/69/23/209366923.db2.gz	UDJLLMVGABAOPX-UXBLZVDNSA-N	0	0	361.781	4.404	40	5		FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl	ZINC000102717898	209241451	/nfs/dbraw/zinc/24/14/51/209241451.db2.gz	XPDKBYXIHXVCHA-IGQOVBAYSA-N	0	0	369.248	4.389	40	5		FIBBRN
CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OCC	ZINC000004342093	207015381	/nfs/dbraw/zinc/01/53/81/207015381.db2.gz	DELBRDVAKOKGKX-YRNVUSSQSA-N	0	0	370.405	4.353	40	5		FIBBRN
Cc1ccccc1N(CC(=O)c1cccc([N+](=O)[O-])c1)C1=NCCCS1	ZINC000004614859	207032871	/nfs/dbraw/zinc/03/28/71/207032871.db2.gz	LXCSUIOEWVNFAX-UHFFFAOYSA-N	0	0	369.446	4.085	40	5		FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CC[C@@H]3[C@H](CC[C@H]12)C3(Cl)Cl	ZINC000005067351	207077075	/nfs/dbraw/zinc/07/70/75/207077075.db2.gz	XPDKBYXIHXVCHA-JZAZDWQXSA-N	0	0	369.248	4.389	40	5		FIBBRN
CCCCCC[C@@H](C)N(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005524119	207103877	/nfs/dbraw/zinc/10/38/77/207103877.db2.gz	UZDKXNDIXKKXEQ-OAHLLOKOSA-N	0	0	350.459	4.167	40	5		FIBBRN
O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	ZINC000006511818	207143835	/nfs/dbraw/zinc/14/38/35/207143835.db2.gz	OLTYXLQOKSMKBE-UHFFFAOYSA-N	0	0	370.217	4.028	40	5		FIBBRN
O=C(c1ccccc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1	ZINC000036239988	207273354	/nfs/dbraw/zinc/27/33/54/207273354.db2.gz	AAIHEZGNYXLYBB-OJOWTSHBSA-N	0	0	358.397	4.403	40	5		FIBBRN
CCOC(=O)c1cc2c(=O)oc3ccccc3c2nc1NCc1ccccc1	ZINC000019204768	207648075	/nfs/dbraw/zinc/64/80/75/207648075.db2.gz	KJSLSBKIMJQONX-UHFFFAOYSA-N	0	0	374.396	4.130	40	5		FIBBRN
COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000030757672	208004449	/nfs/dbraw/zinc/00/44/49/208004449.db2.gz	YLDYMDWHZVSPEU-GOSISDBHSA-N	0	0	356.422	4.050	40	5		FIBBRN
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000005714439	263343224	/nfs/dbraw/zinc/34/32/24/263343224.db2.gz	VXQKFVPRMRVQQW-UHFFFAOYSA-N	0	0	371.280	4.154	40	5		FIBBRN
Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000021595929	263383905	/nfs/dbraw/zinc/38/39/05/263383905.db2.gz	SZDVRKOHWDUSGZ-UHFFFAOYSA-N	0	0	365.345	4.001	40	5		FIBBRN
CCCCOC(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2)c([N+](=O)[O-])c1	ZINC000059489755	263421480	/nfs/dbraw/zinc/42/14/80/263421480.db2.gz	GLSIMAGPOIIAIE-UHFFFAOYSA-N	0	0	373.365	4.072	40	5		FIBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1-c1ccccc1	ZINC000408566338	263473629	/nfs/dbraw/zinc/47/36/29/263473629.db2.gz	FKBSHXTZTONYPK-INIZCTEOSA-N	0	0	374.853	4.339	40	5		FIBBRN
O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1CCCc1ccccc1	ZINC000409124310	263530725	/nfs/dbraw/zinc/53/07/25/263530725.db2.gz	BFIIFEZOJKIYLY-GHRIWEEISA-N	0	0	368.414	4.264	40	5		FIBBRN
CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1	ZINC000020490635	522691327	/nfs/dbraw/zinc/69/13/27/522691327.db2.gz	OMNGMMSETQLDOW-GOSISDBHSA-N	0	0	358.463	4.404	40	5		FIBBRN
Cc1ccc(OCc2nnc(SCc3cccc([N+](=O)[O-])c3)o2)cc1C	ZINC000019928032	525451975	/nfs/dbraw/zinc/45/19/75/525451975.db2.gz	LFWGERDDIIZGBS-UHFFFAOYSA-N	0	0	371.418	4.466	40	5		FIBBRN
CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1	ZINC000408629041	570570822	/nfs/dbraw/zinc/57/08/22/570570822.db2.gz	JKVJJJQBXFKWAO-UHFFFAOYSA-N	0	0	363.801	4.330	40	5		FIBBRN
CCc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000408916878	570698396	/nfs/dbraw/zinc/69/83/96/570698396.db2.gz	HVNCXHKTYCTEKL-GZTJUZNOSA-N	0	0	368.414	4.394	40	5		FIBBRN
O=C(NCCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408921902	570699412	/nfs/dbraw/zinc/69/94/12/570699412.db2.gz	LCVUPCKOJHKHPS-OQKWZONESA-N	0	0	372.424	4.494	40	5		FIBBRN
COc1cc2c(cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCCC2	ZINC000408924390	570699892	/nfs/dbraw/zinc/69/98/92/570699892.db2.gz	IGPAMDHQQXHZFO-UHFFFAOYSA-N	0	0	360.797	4.388	40	5		FIBBRN
O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2CO)c([N+](=O)[O-])c1	ZINC000409109954	570725246	/nfs/dbraw/zinc/72/52/46/570725246.db2.gz	OMXBNDTUABSRRZ-UHFFFAOYSA-N	0	0	359.121	4.094	40	5		FIBBRN
COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccccc1	ZINC000006483709	570782131	/nfs/dbraw/zinc/78/21/31/570782131.db2.gz	ZDCUMMCXBRHKBH-BQYQJAHWSA-N	0	0	364.195	4.284	40	5		FIBBRN
Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(F)cc1	ZINC000014911201	570968719	/nfs/dbraw/zinc/96/87/19/570968719.db2.gz	FOXIRKMJPHFUKK-UHFFFAOYSA-N	0	0	357.366	4.418	40	5		FIBBRN
Cc1c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cccc1[N+](=O)[O-]	ZINC000013708571	571111241	/nfs/dbraw/zinc/11/12/41/571111241.db2.gz	LTFJSDOOOZLVGV-AWEZNQCLSA-N	0	0	350.374	4.462	40	5		FIBBRN
Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]	ZINC000223382107	571116799	/nfs/dbraw/zinc/11/67/99/571116799.db2.gz	JFHOAKXHIBJIEL-UHFFFAOYSA-N	0	0	356.422	4.010	40	5		FIBBRN
CC(C)CSc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1	ZINC000223616097	571160251	/nfs/dbraw/zinc/16/02/51/571160251.db2.gz	ASAOQIQAIGAJLH-UHFFFAOYSA-N	0	0	372.859	4.100	40	5		FIBBRN
O=C1c2cccc3cccc(c32)C(=O)N1Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004696713	571162148	/nfs/dbraw/zinc/16/21/48/571162148.db2.gz	GKFWQPONWYUSCI-UHFFFAOYSA-N	0	0	367.748	4.025	40	5		FIBBRN
O=C(Nc1cccc(Cl)c1)Oc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-]	ZINC000001652000	571162214	/nfs/dbraw/zinc/16/22/14/571162214.db2.gz	DZNSTNDTBNCYCP-UHFFFAOYSA-N	0	0	372.120	4.421	40	5		FIBBRN
CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000226257052	571275904	/nfs/dbraw/zinc/27/59/04/571275904.db2.gz	GZVOERGIGSLPFG-VMPITWQZSA-N	0	0	366.167	4.194	40	5		FIBBRN
Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)s1	ZINC000214892294	571283302	/nfs/dbraw/zinc/28/33/02/571283302.db2.gz	VEIRMHIZOFCFJU-RIYZIHGNSA-N	0	0	360.416	4.201	40	5		FIBBRN
CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225061811	571293772	/nfs/dbraw/zinc/29/37/72/571293772.db2.gz	KZBDEZRZZTVBDK-UHFFFAOYSA-N	0	0	370.430	4.272	40	5		FIBBRN
Cc1cc(C(=O)NCCSCc2ccc(Cl)cc2)ccc1[N+](=O)[O-]	ZINC000005245466	571294878	/nfs/dbraw/zinc/29/48/78/571294878.db2.gz	OFLGVOBTMJZPQI-UHFFFAOYSA-N	0	0	364.854	4.220	40	5		FIBBRN
CCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC	ZINC000015790670	571303698	/nfs/dbraw/zinc/30/36/98/571303698.db2.gz	VFHYKSQJVAZDFV-UHFFFAOYSA-N	0	0	364.785	4.216	40	5		FIBBRN
O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000215250126	571320177	/nfs/dbraw/zinc/32/01/77/571320177.db2.gz	IMONGUTXINVHAU-VDHUBAETSA-N	0	0	366.398	4.388	40	5		FIBBRN
CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009141863	571321009	/nfs/dbraw/zinc/32/10/09/571321009.db2.gz	NIKMDGKFWHWFBG-UHFFFAOYSA-N	0	0	361.785	4.095	40	5		FIBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(C)cc(C)c3)nc21	ZINC000010010538	571321385	/nfs/dbraw/zinc/32/13/85/571321385.db2.gz	RJZDNXCKPJLLML-UHFFFAOYSA-N	0	0	357.391	4.082	40	5		FIBBRN
O=C(CSc1ccccc1)c1cc([N+](=O)[O-])ccc1Br	ZINC000019928699	571327779	/nfs/dbraw/zinc/32/77/79/571327779.db2.gz	HBCVUQDDMKWNDK-UHFFFAOYSA-N	0	0	352.209	4.332	40	5		FIBBRN
O=C(Nc1cccc(Br)c1)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225990960	571339082	/nfs/dbraw/zinc/33/90/82/571339082.db2.gz	YFVSCHINEMXUNL-UHFFFAOYSA-N	0	0	361.195	4.028	40	5		FIBBRN
CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(C)c1	ZINC000225621551	209824790	/nfs/dbraw/zinc/82/47/90/209824790.db2.gz	CVMRSJUFQWAOOI-VWGXWWAPSA-N	0	0	354.406	4.193	40	5		FIBBRN
CCC1(CC)C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1	ZINC000224827133	209793857	/nfs/dbraw/zinc/79/38/57/209793857.db2.gz	BADZFNUMTDKVEC-QGZVFWFLSA-N	0	0	354.406	4.407	40	5		FIBBRN
CCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC	ZINC000224419229	209784080	/nfs/dbraw/zinc/78/40/80/209784080.db2.gz	CHCDIDUBPRUWKZ-UHFFFAOYSA-N	0	0	358.394	4.091	40	5		FIBBRN
CCc1ccc(CC)c(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	ZINC000222947723	209742810	/nfs/dbraw/zinc/74/28/10/209742810.db2.gz	QJEPADDXQWSXSH-UHFFFAOYSA-N	0	0	372.490	4.269	40	5		FIBBRN
CCOc1c(Cl)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC	ZINC000015409187	209596178	/nfs/dbraw/zinc/59/61/78/209596178.db2.gz	PVOXSIABXJGFRL-UHFFFAOYSA-N	0	0	364.785	4.216	40	5		FIBBRN
O=Cc1cn(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc12	ZINC000226767995	209369117	/nfs/dbraw/zinc/36/91/17/209369117.db2.gz	NQVPADNYIYAAQE-UHFFFAOYSA-N	0	0	360.325	4.311	40	5		FIBBRN
Cc1cc(C)c2c(N)c(-c3nnc(-c4ccccc4[N+](=O)[O-])o3)sc2n1	ZINC000000888439	209380431	/nfs/dbraw/zinc/38/04/31/209380431.db2.gz	PHOBMKKBUJDPFE-UHFFFAOYSA-N	0	0	367.390	4.121	40	5		FIBBRN
O=[N+]([O-])c1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000104109270	209258584	/nfs/dbraw/zinc/25/85/84/209258584.db2.gz	GHXAEXFAUDQRPB-UHFFFAOYSA-N	0	0	373.199	4.222	40	5		FIBBRN
Cc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1[N+](=O)[O-]	ZINC000013671797	220082827	/nfs/dbraw/zinc/08/28/27/220082827.db2.gz	OITHZKIHFTTWDQ-UHFFFAOYSA-N	0	0	356.422	4.053	40	5		FIBBRN
COC(=O)n1c2ccccc2nc1SCc1cc([N+](=O)[O-])ccc1C	ZINC000004243579	207009430	/nfs/dbraw/zinc/00/94/30/207009430.db2.gz	OVFUPVRGSRBMGN-UHFFFAOYSA-N	0	0	357.391	4.160	40	5		FIBBRN
Cc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCC2)cc1	ZINC000008411756	207232923	/nfs/dbraw/zinc/23/29/23/207232923.db2.gz	PRDULRVQZSZJBO-UHFFFAOYSA-N	0	0	351.406	4.175	40	5		FIBBRN
Cc1ccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000408725770	263491136	/nfs/dbraw/zinc/49/11/36/263491136.db2.gz	HLTUZKIJGFTQQT-UHFFFAOYSA-N	0	0	350.827	4.429	40	5		FIBBRN
O=C(Nc1ccccc1Br)c1coc2ccc([N+](=O)[O-])cc12	ZINC000408968521	263512152	/nfs/dbraw/zinc/51/21/52/263512152.db2.gz	ZZZPXNMBRXEOPE-UHFFFAOYSA-N	0	0	361.151	4.356	40	5		FIBBRN
Cc1c(NC(=O)CCc2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-]	ZINC000014287459	570523429	/nfs/dbraw/zinc/52/34/29/570523429.db2.gz	SMCGUNLXFGIIRT-UHFFFAOYSA-N	0	0	351.362	4.130	40	5		FIBBRN
Cc1cccc(C(=O)Nc2cc(N3CCCC3)c([N+](=O)[O-])cc2Cl)c1	ZINC000072229120	570535206	/nfs/dbraw/zinc/53/52/06/570535206.db2.gz	YTAFPQATCXIKGV-UHFFFAOYSA-N	0	0	359.813	4.409	40	5		FIBBRN
CCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC	ZINC000408617582	570570024	/nfs/dbraw/zinc/57/00/24/570570024.db2.gz	CROOJJLLDYNGEB-UHFFFAOYSA-N	0	0	364.785	4.216	40	5		FIBBRN
CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OC	ZINC000408624219	570570636	/nfs/dbraw/zinc/57/06/36/570570636.db2.gz	UZTCJDIHUDKECF-UHFFFAOYSA-N	0	0	364.785	4.216	40	5		FIBBRN
CCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC	ZINC000408625660	570570738	/nfs/dbraw/zinc/57/07/38/570570738.db2.gz	XTIOOMLBYBLKAT-UHFFFAOYSA-N	0	0	358.394	4.343	40	5		FIBBRN
O=C(c1ccc2nc3ccccc3nc2c1)N1CC[C@@H](c2ccccc2)C1	ZINC000408977299	570706627	/nfs/dbraw/zinc/70/66/27/570706627.db2.gz	VGYRINFPKYVHOL-GOSISDBHSA-N	0	0	353.425	4.413	40	5		FIBBRN
O=C(NCCSc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000008125074	570795005	/nfs/dbraw/zinc/79/50/05/570795005.db2.gz	PFAWRHKLZSIRGW-UHFFFAOYSA-N	0	0	371.245	4.424	40	5		FIBBRN
CC1(C)C[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1	ZINC000013647534	571109841	/nfs/dbraw/zinc/10/98/41/571109841.db2.gz	QUJSDRRCHARFRX-CQSZACIVSA-N	0	0	360.797	4.280	40	5		FIBBRN
O=C(NCCOc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000016142132	571153865	/nfs/dbraw/zinc/15/38/65/571153865.db2.gz	KYMYCQIUZBFMAE-UHFFFAOYSA-N	0	0	370.792	4.210	40	5		FIBBRN
Cc1c(C(=O)NCCOc2ccccc2C(C)(C)C)cccc1[N+](=O)[O-]	ZINC000223664978	571160618	/nfs/dbraw/zinc/16/06/18/571160618.db2.gz	PVTRAFDGJPJODO-UHFFFAOYSA-N	0	0	356.422	4.010	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1cccc(Cl)c1	ZINC000015270875	571186800	/nfs/dbraw/zinc/18/68/00/571186800.db2.gz	XLIVTRWTCHUVCM-UHFFFAOYSA-N	0	0	366.826	4.129	40	5		FIBBRN
Cc1cc(=O)oc2cc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])cc12	ZINC000001789753	571193008	/nfs/dbraw/zinc/19/30/08/571193008.db2.gz	YKXLRYURWGTDPJ-UHFFFAOYSA-N	0	0	363.728	4.381	40	5		FIBBRN
CC1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000006515649	571206434	/nfs/dbraw/zinc/20/64/34/571206434.db2.gz	UJQOPXQLOXLVIJ-BJMVGYQFSA-N	0	0	365.433	4.483	40	5		FIBBRN
O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016964194	571274133	/nfs/dbraw/zinc/27/41/33/571274133.db2.gz	IGLHPRWZNOWVGB-UHFFFAOYSA-N	0	0	370.792	4.210	40	5		FIBBRN
CC(C)CSc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1	ZINC000224905828	571283324	/nfs/dbraw/zinc/28/33/24/571283324.db2.gz	OAISDVRDVPIXNO-UHFFFAOYSA-N	0	0	372.859	4.100	40	5		FIBBRN
O=C(NCCSCc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl	ZINC000007637794	571284969	/nfs/dbraw/zinc/28/49/69/571284969.db2.gz	KSZIFGAFEDGSOX-UHFFFAOYSA-N	0	0	368.817	4.051	40	5		FIBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc2ncccc2c2cccnc12	ZINC000006251252	571295607	/nfs/dbraw/zinc/29/56/07/571295607.db2.gz	SRCVLLOXEWZHJD-UHFFFAOYSA-N	0	0	359.345	4.335	40	5		FIBBRN
O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000215250170	571320142	/nfs/dbraw/zinc/32/01/42/571320142.db2.gz	IMONGUTXINVHAU-AQHRCUNFSA-N	0	0	366.398	4.388	40	5		FIBBRN
O=[N+]([O-])c1ccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)cc1	ZINC000329030332	571326583	/nfs/dbraw/zinc/32/65/83/571326583.db2.gz	QCWKRCXCDBUHKI-UHFFFAOYSA-N	0	0	353.426	4.172	40	5		FIBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCc3ccccc32)cc1	ZINC000216361107	571342305	/nfs/dbraw/zinc/34/23/05/571342305.db2.gz	QXEPCJHZHFKFDB-UHFFFAOYSA-N	0	0	373.412	4.410	40	5		FIBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000217876549	571351271	/nfs/dbraw/zinc/35/12/71/571351271.db2.gz	KGOKARYHWMRIFT-INIZCTEOSA-N	0	0	354.406	4.244	40	5		FIBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)c1ccccc1	ZINC000217887777	571351419	/nfs/dbraw/zinc/35/14/19/571351419.db2.gz	BNKVSAKPTWXIPP-BUHFOSPRSA-N	0	0	372.380	4.478	40	5		FIBBRN
Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC(C)(C)O2	ZINC000217889008	571351456	/nfs/dbraw/zinc/35/14/56/571351456.db2.gz	QESNWHZYYAOHBJ-XSFOEPMVSA-N	0	0	366.417	4.335	40	5		FIBBRN
O=C(NCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003603092	571351541	/nfs/dbraw/zinc/35/15/41/571351541.db2.gz	GJJQLBQKNSOZQL-UHFFFAOYSA-N	0	0	359.596	4.485	40	5		FIBBRN
CCOc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC	ZINC000004070581	571354689	/nfs/dbraw/zinc/35/46/89/571354689.db2.gz	JZSMJZVTVNGZCH-ZRDIBKRKSA-N	0	0	356.378	4.044	40	5		FIBBRN
CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC	ZINC000004070582	571354739	/nfs/dbraw/zinc/35/47/39/571354739.db2.gz	XORBOZIWNIIJOC-WUXMJOGZSA-N	0	0	356.378	4.044	40	5		FIBBRN
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COCC(C)C	ZINC000224454710	209786611	/nfs/dbraw/zinc/78/66/11/209786611.db2.gz	OIVTXNBXLMOWBL-UHFFFAOYSA-N	0	0	372.421	4.337	40	5		FIBBRN
O=[N+]([O-])c1cc(Br)c(OC(F)(F)F)c(C(F)(F)F)c1	ZINC000169801765	209539198	/nfs/dbraw/zinc/53/91/98/209539198.db2.gz	YCURTWDYDZSWMS-UHFFFAOYSA-N	0	0	354.000	4.275	40	5		FIBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(Cl)cc3)nc21	ZINC000010010546	209516565	/nfs/dbraw/zinc/51/65/65/209516565.db2.gz	DNAOUHNNGANOBT-UHFFFAOYSA-N	0	0	363.782	4.119	40	5		FIBBRN
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000004698098	209426803	/nfs/dbraw/zinc/42/68/03/209426803.db2.gz	HFFARIVKYHMCLJ-ATVHPVEESA-N	0	0	360.325	4.199	40	5		FIBBRN
CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000000817497	209377468	/nfs/dbraw/zinc/37/74/68/209377468.db2.gz	ZXTGRRANRUKYIP-UHFFFAOYSA-N	0	0	365.183	4.008	40	5		FIBBRN
Nc1ccccc1Sc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000006045440	207126959	/nfs/dbraw/zinc/12/69/59/207126959.db2.gz	RQUHMJCHQWTZSI-UHFFFAOYSA-N	0	0	359.285	4.255	40	5		FIBBRN
CCc1nn2c(ncc(-c3ccc([N+](=O)[O-])cc3)c2N)c1-c1ccccc1	ZINC000040385273	208249550	/nfs/dbraw/zinc/24/95/50/208249550.db2.gz	LYWITXVFUKUTDD-UHFFFAOYSA-N	0	0	359.389	4.116	40	5		FIBBRN
O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000072229452	208826880	/nfs/dbraw/zinc/82/68/80/208826880.db2.gz	DNXSKIIIRDNEFV-UHFFFAOYSA-N	0	0	356.121	4.062	40	5		FIBBRN
Cc1ccccc1N1C(=S)N[C@H]2c3cc([N+](=O)[O-])ccc3O[C@]1(C)[C@@H]2C	ZINC000004193169	132386509	/nfs/dbraw/zinc/38/65/09/132386509.db2.gz	WOKWOXLNVYXFJG-QHLBDZCJSA-N	0	0	369.446	4.084	40	5		FIBBRN
COc1cc2cnc3c(cc(O)c4cc(OC)c(OC)cc43)c2cc1OC	ZINC000001579618	570502256	/nfs/dbraw/zinc/50/22/56/570502256.db2.gz	GZELPONIDRTJFS-UHFFFAOYSA-N	0	0	365.385	4.281	40	5		FIBBRN
Cc1cc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc(C)c1Cl	ZINC000072228846	570535325	/nfs/dbraw/zinc/53/53/25/570535325.db2.gz	IQQNXPZHQBIZHJ-UHFFFAOYSA-N	0	0	362.813	4.499	40	5		FIBBRN
COc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000408705390	570573306	/nfs/dbraw/zinc/57/33/06/570573306.db2.gz	DQKQNMPPCCVSFF-UHFFFAOYSA-N	0	0	364.785	4.055	40	5		FIBBRN
O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000408917458	570577396	/nfs/dbraw/zinc/57/73/96/570577396.db2.gz	UWKUSUWZOFGFFG-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCCC[C@H]23)c1	ZINC000409188565	570583699	/nfs/dbraw/zinc/58/36/99/570583699.db2.gz	DKSNCKXTKIWFDY-FHLIZLRMSA-N	0	0	355.350	4.138	40	5		FIBBRN
COc1ccc(NC(=O)COc2ccc(C)cc2C(C)(C)C)c([N+](=O)[O-])c1	ZINC000005542163	570668519	/nfs/dbraw/zinc/66/85/19/570668519.db2.gz	LDNKVSHDENLXPE-UHFFFAOYSA-N	0	0	372.421	4.227	40	5		FIBBRN
CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O	ZINC000408820677	570689904	/nfs/dbraw/zinc/68/99/04/570689904.db2.gz	XZSIJHZOLAMXGW-NTUHNPAUSA-N	0	0	364.766	4.174	40	5		FIBBRN
COc1ccc(OC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1	ZINC000408976060	570706238	/nfs/dbraw/zinc/70/62/38/570706238.db2.gz	OYKLYHSUVSCOJZ-UHFFFAOYSA-N	0	0	369.380	4.492	40	5		FIBBRN
CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3cc2[N+](=O)[O-])CC1	ZINC000014000329	570843197	/nfs/dbraw/zinc/84/31/97/570843197.db2.gz	LAJVBQOHDNOCNC-UHFFFAOYSA-N	0	0	357.410	4.258	40	5		FIBBRN
O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000106685552	570893380	/nfs/dbraw/zinc/89/33/80/570893380.db2.gz	CFZGNMFBTRXDGD-DHDCSXOGSA-N	0	0	374.805	4.485	40	5		FIBBRN
COc1cc(C)c([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C(C)C	ZINC000223272362	571071244	/nfs/dbraw/zinc/07/12/44/571071244.db2.gz	RMRAJMRTDAXGSA-HNNXBMFYSA-N	0	0	370.449	4.455	40	5		FIBBRN
O=S(=O)(Nc1ccnc2c3ccccc3ccc12)c1ccc(F)cc1	ZINC000040384331	571095181	/nfs/dbraw/zinc/09/51/81/571095181.db2.gz	LIGBPVMBHVLKBD-UHFFFAOYSA-N	0	0	352.390	4.328	40	5		FIBBRN
Cc1c(C(=O)NCCCc2cccc(OC(C)C)c2)cccc1[N+](=O)[O-]	ZINC000013647371	571109682	/nfs/dbraw/zinc/10/96/82/571109682.db2.gz	NWENSESMVKSQCY-UHFFFAOYSA-N	0	0	356.422	4.053	40	5		FIBBRN
Cc1c(NC(=O)[C@H](C)Oc2cccc3ccccc32)cccc1[N+](=O)[O-]	ZINC000013709322	571111345	/nfs/dbraw/zinc/11/13/45/571111345.db2.gz	IBTCDXOKPYADQT-AWEZNQCLSA-N	0	0	350.374	4.462	40	5		FIBBRN
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COCC(C)C	ZINC000224739782	571278801	/nfs/dbraw/zinc/27/88/01/571278801.db2.gz	ZXTSTBMSZBBEIU-UHFFFAOYSA-N	0	0	372.421	4.418	40	5		FIBBRN
CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224767116	571279781	/nfs/dbraw/zinc/27/97/81/571279781.db2.gz	PODLAUCGTHRGJL-UHFFFAOYSA-N	0	0	362.451	4.242	40	5		FIBBRN
O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl	ZINC000214092264	571292648	/nfs/dbraw/zinc/29/26/48/571292648.db2.gz	LDMNQGJFDRYKCC-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000033579793	571305478	/nfs/dbraw/zinc/30/54/78/571305478.db2.gz	IAJMQULPPQYZFR-VOTSOKGWSA-N	0	0	364.741	4.083	40	5		FIBBRN
Cc1ccc2c(N)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)sc2n1	ZINC000142929828	571307191	/nfs/dbraw/zinc/30/71/91/571307191.db2.gz	MQOWESNBCNOCHA-UHFFFAOYSA-N	0	0	362.798	4.001	40	5		FIBBRN
Cc1c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cccc1[N+](=O)[O-]	ZINC000225176783	571317369	/nfs/dbraw/zinc/31/73/69/571317369.db2.gz	WSWLYGMWDUDMAA-AWEZNQCLSA-N	0	0	354.406	4.188	40	5		FIBBRN
CC[C@@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1	ZINC000328966625	571326543	/nfs/dbraw/zinc/32/65/43/571326543.db2.gz	CNADWHGSPCOXFC-CQSZACIVSA-N	0	0	363.421	4.428	40	5		FIBBRN
Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1	ZINC000002740059	571340647	/nfs/dbraw/zinc/34/06/47/571340647.db2.gz	KWQHQHRCYPQUKM-UHFFFAOYSA-N	0	0	364.405	4.017	40	5		FIBBRN
Cc1ccccc1NC(=O)[C@H](c1cccc([N+](=O)[O-])c1)N1CCCCC1	ZINC000057800883	571345424	/nfs/dbraw/zinc/34/54/24/571345424.db2.gz	ZUIHVCJCYVEAPB-IBGZPJMESA-N	0	0	353.422	4.069	40	5		FIBBRN
Cc1ccccc1NC(=O)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCCC1	ZINC000057800882	571345448	/nfs/dbraw/zinc/34/54/48/571345448.db2.gz	ZUIHVCJCYVEAPB-LJQANCHMSA-N	0	0	353.422	4.069	40	5		FIBBRN
C/C(=C/c1nc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)cc1)[N+](=O)[O-]	ZINC000003850480	571352765	/nfs/dbraw/zinc/35/27/65/571352765.db2.gz	NBHFWRNCEIAFNZ-FLIBITNWSA-N	0	0	372.768	4.284	40	5		FIBBRN
CCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC	ZINC000008267543	571360111	/nfs/dbraw/zinc/36/01/11/571360111.db2.gz	NKBHRXBCJZBMAC-UHFFFAOYSA-N	0	0	358.394	4.343	40	5		FIBBRN
CC[C@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1	ZINC000328966623	210126426	/nfs/dbraw/zinc/12/64/26/210126426.db2.gz	CNADWHGSPCOXFC-AWEZNQCLSA-N	0	0	363.421	4.428	40	5		FIBBRN
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COCC(C)C	ZINC000224454780	222813722	/nfs/dbraw/zinc/81/37/22/222813722.db2.gz	PRULLBIEZWLPDB-UHFFFAOYSA-N	0	0	372.421	4.337	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(Cl)c(Cl)c1	ZINC000225327356	222834370	/nfs/dbraw/zinc/83/43/70/222834370.db2.gz	PRJULRHXZPJFSD-UHFFFAOYSA-N	0	0	369.204	4.482	40	5		FIBBRN
O=C1OC(c2cccc(Cl)c2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-]	ZINC000013551576	220073625	/nfs/dbraw/zinc/07/36/25/220073625.db2.gz	FHEMEBNQIKAHEJ-UQSVOVAVSA-N	0	0	354.749	4.149	40	5		FIBBRN
CC(C)(C)OC(=O)N1CCC[C@H](c2nc3ccccc3cc2[N+](=O)[O-])C1	ZINC000014000407	220100933	/nfs/dbraw/zinc/10/09/33/220100933.db2.gz	HNIWIQSTBXSQNS-AWEZNQCLSA-N	0	0	357.410	4.258	40	5		FIBBRN
CCOc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000022525288	211355337	/nfs/dbraw/zinc/35/53/37/211355337.db2.gz	XSVJRCVYHXIYAS-AWEZNQCLSA-N	0	0	374.462	4.104	40	5		FIBBRN
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000020486624	211283326	/nfs/dbraw/zinc/28/33/26/211283326.db2.gz	PIJSVGKXZVCUDO-HNNXBMFYSA-N	0	0	352.749	4.183	40	5		FIBBRN
Cc1cc(C(=O)NCCCc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-]	ZINC000013648687	211047015	/nfs/dbraw/zinc/04/70/15/211047015.db2.gz	FCCOYUAASCOFSD-UHFFFAOYSA-N	0	0	356.422	4.053	40	5		FIBBRN
COc1cc(OCC(=O)Nc2c(C)cccc2C(C)C)ccc1[N+](=O)[O-]	ZINC000066013939	221238666	/nfs/dbraw/zinc/23/86/66/221238666.db2.gz	GWKZFELIAKOVTK-UHFFFAOYSA-N	0	0	358.394	4.053	40	5		FIBBRN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl	ZINC000005771190	263343318	/nfs/dbraw/zinc/34/33/18/263343318.db2.gz	UMCMMWRFCDCUOO-UHFFFAOYSA-N	0	0	358.703	4.448	40	5		FIBBRN
CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2O1	ZINC000010542967	263366372	/nfs/dbraw/zinc/36/63/72/263366372.db2.gz	OYVUMACCXCKHFA-HNNXBMFYSA-N	0	0	360.797	4.280	40	5		FIBBRN
O=[N+]([O-])c1ccc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C2(Cl)Cl)cc1	ZINC000039475062	263399213	/nfs/dbraw/zinc/39/92/13/263399213.db2.gz	UWTIQVJLXDSYLU-FWJOYPJLSA-N	0	0	354.149	4.196	40	5		FIBBRN
O=C(Nc1cccc(O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000059383314	263418302	/nfs/dbraw/zinc/41/83/02/263418302.db2.gz	ZODDJAPFHVRMNA-UHFFFAOYSA-N	0	0	350.330	4.345	40	5		FIBBRN
CCCNC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1	ZINC000408976257	263513100	/nfs/dbraw/zinc/51/31/00/263513100.db2.gz	QAXJSHHRUZXQNG-UHFFFAOYSA-N	0	0	367.412	4.019	40	5		FIBBRN
COc1ccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000218112102	524124048	/nfs/dbraw/zinc/12/40/48/524124048.db2.gz	HFGGXUUENZZWOH-UHFFFAOYSA-N	0	0	366.826	4.129	40	5		FIBBRN
Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	ZINC000218048749	524209111	/nfs/dbraw/zinc/20/91/11/524209111.db2.gz	CAVZPJRTCUICAM-HNNXBMFYSA-N	0	0	358.463	4.322	40	5		FIBBRN
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000020141018	525752990	/nfs/dbraw/zinc/75/29/90/525752990.db2.gz	ZEQLELRLUAFPFD-UHFFFAOYSA-N	0	0	366.373	4.216	40	5		FIBBRN
Cc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000215253860	570450327	/nfs/dbraw/zinc/45/03/27/570450327.db2.gz	RKHOWDXQKJVWEO-MHWRWJLKSA-N	0	0	354.387	4.140	40	5		FIBBRN
COc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1[N+](=O)[O-]	ZINC000014258188	570523085	/nfs/dbraw/zinc/52/30/85/570523085.db2.gz	DCIJBGNENSKJPX-UHFFFAOYSA-N	0	0	352.346	4.018	40	5		FIBBRN
CN(C)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-]	ZINC000072229253	570535321	/nfs/dbraw/zinc/53/53/21/570535321.db2.gz	QXIQWFRQOFOWEQ-UHFFFAOYSA-N	0	0	354.193	4.220	40	5		FIBBRN
CCOc1ccc(Br)cc1/C=C\c1onc(C)c1[N+](=O)[O-]	ZINC000408541773	570567709	/nfs/dbraw/zinc/56/77/09/570567709.db2.gz	DQXZFHKDUUKJFP-XQRVVYSFSA-N	0	0	353.172	4.223	40	5		FIBBRN
O=C(Nc1ccc(O)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000408621546	570570569	/nfs/dbraw/zinc/57/05/69/570570569.db2.gz	OOKOFNUFLSWAPS-UHFFFAOYSA-N	0	0	358.737	4.466	40	5		FIBBRN
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)cc1	ZINC000001862697	570653729	/nfs/dbraw/zinc/65/37/29/570653729.db2.gz	RNFGELPBDPVSQQ-UHFFFAOYSA-N	0	0	355.371	4.030	40	5		FIBBRN
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)c1cc3cc([N+](=O)[O-])ccc3oc1=O)C2	ZINC000004291919	570666690	/nfs/dbraw/zinc/66/66/90/570666690.db2.gz	INKHNBFWANDRDJ-BXJCWQANSA-N	0	0	371.389	4.073	40	5		FIBBRN
O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005559123	570668973	/nfs/dbraw/zinc/66/89/73/570668973.db2.gz	LBSLTMDHBHMIKL-UHFFFAOYSA-N	0	0	351.746	4.249	40	5		FIBBRN
Cc1ccc(C)c(OCc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)c1	ZINC000040169681	571089418	/nfs/dbraw/zinc/08/94/18/571089418.db2.gz	HDEXGSXEOYQFRT-UHFFFAOYSA-N	0	0	358.785	4.229	40	5		FIBBRN
O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1	ZINC000001505954	571122779	/nfs/dbraw/zinc/12/27/79/571122779.db2.gz	WZKWDIWAURAHII-VGOFMYFVSA-N	0	0	363.156	4.246	40	5		FIBBRN
O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(NCC3CCCCC3)n2)c1	ZINC000199800962	571292382	/nfs/dbraw/zinc/29/23/82/571292382.db2.gz	YQUQAXACDDCCEU-UHFFFAOYSA-N	0	0	362.821	4.169	40	5		FIBBRN
CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225012038	571293579	/nfs/dbraw/zinc/29/35/79/571293579.db2.gz	AFZZNGUSCFFAIA-UHFFFAOYSA-N	0	0	368.414	4.087	40	5		FIBBRN
O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1cccc(F)c1	ZINC000006321598	571295834	/nfs/dbraw/zinc/29/58/34/571295834.db2.gz	GXFVQFGUTJEDJQ-VOTSOKGWSA-N	0	0	352.159	4.415	40	5		FIBBRN
Cc1ccc(CSCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000017603464	571303794	/nfs/dbraw/zinc/30/37/94/571303794.db2.gz	FFGPUIGRLNAPRL-UHFFFAOYSA-N	0	0	364.854	4.220	40	5		FIBBRN
Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1	ZINC000009532516	571321252	/nfs/dbraw/zinc/32/12/52/571321252.db2.gz	JXKVOAQANRGLBX-UHFFFAOYSA-N	0	0	360.826	4.336	40	5		FIBBRN
Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC(C)(C)O2	ZINC000217895285	571351440	/nfs/dbraw/zinc/35/14/40/571351440.db2.gz	OBXHELXQTSVZEH-JGZYNSJSSA-N	0	0	366.417	4.335	40	5		FIBBRN
CCOC(=O)Oc1c2ccc([N+](=O)[O-])cc2n(C(C)=O)c1-c1ccccc1	ZINC000003844596	571352655	/nfs/dbraw/zinc/35/26/55/571352655.db2.gz	LHNNVWYCDJGCHY-UHFFFAOYSA-N	0	0	368.345	4.412	40	5		FIBBRN
O=[N+]([O-])c1ccc(N2CCCC2)c([C@H]2OCCCN2Cc2ccccc2)c1	ZINC000059489902	571357432	/nfs/dbraw/zinc/35/74/32/571357432.db2.gz	OVWKVXLKHAYGFV-OAQYLSRUSA-N	0	0	367.449	4.116	40	5		FIBBRN
CC[C@@H](C)NC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O	ZINC000006624360	210230930	/nfs/dbraw/zinc/23/09/30/210230930.db2.gz	KLVCXTCGFROLIB-CYBMUJFWSA-N	0	0	369.424	4.120	40	5	biogenic	FIBBRN
O=C(C[C@H](NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000044138688	210046607	/nfs/dbraw/zinc/04/66/07/210046607.db2.gz	WYUHFTBSIWKENU-FQEVSTJZSA-N	0	0	374.396	4.339	40	5		FIBBRN
CCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-]	ZINC000000915913	219339774	/nfs/dbraw/zinc/33/97/74/219339774.db2.gz	IWKKDAWMJXVZOS-UHFFFAOYSA-N	0	0	370.283	4.144	40	5		FIBBRN
CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cn1	ZINC000225859769	222875960	/nfs/dbraw/zinc/87/59/60/222875960.db2.gz	BAWHAZTURDEOMT-UHFFFAOYSA-N	0	0	369.421	4.229	40	5		FIBBRN
CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000022525532	211355383	/nfs/dbraw/zinc/35/53/83/211355383.db2.gz	UXSFLNBKEPKTHN-MRXNPFEDSA-N	0	0	358.394	4.016	40	5		FIBBRN
CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000022525536	211355013	/nfs/dbraw/zinc/35/50/13/211355013.db2.gz	UXSFLNBKEPKTHN-INIZCTEOSA-N	0	0	358.394	4.016	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1	ZINC000013708563	211050157	/nfs/dbraw/zinc/05/01/57/211050157.db2.gz	SCZKDMNEBAAVBK-CQSZACIVSA-N	0	0	350.374	4.462	40	5		FIBBRN
O=C1S/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(O)c1	ZINC000005376242	210616970	/nfs/dbraw/zinc/61/69/70/210616970.db2.gz	OXPZPPFZXMDIMP-RFUMYBEHSA-N	0	0	368.370	4.098	40	5		FIBBRN
O=[N+]([O-])c1ccc(Cc2nc(-c3ccc(Br)cc3)c[nH]2)cc1	ZINC000001685122	210365611	/nfs/dbraw/zinc/36/56/11/210365611.db2.gz	PUPWPEXCWFZVJW-UHFFFAOYSA-N	0	0	358.195	4.338	40	5		FIBBRN
CN(C)c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1[N+](=O)[O-]	ZINC000072229266	221451836	/nfs/dbraw/zinc/45/18/36/221451836.db2.gz	HEOLWNWKIXNERI-UHFFFAOYSA-N	0	0	354.193	4.220	40	5		FIBBRN
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cc1	ZINC000003118554	132253959	/nfs/dbraw/zinc/25/39/59/132253959.db2.gz	VSNZVARLNFDNGV-UHFFFAOYSA-N	0	0	352.733	4.202	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)cc(Cl)c1OC	ZINC000021125904	263383451	/nfs/dbraw/zinc/38/34/51/263383451.db2.gz	LQPSLGMBIHEVER-UHFFFAOYSA-N	0	0	371.176	4.171	40	5		FIBBRN
Cc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1	ZINC000033423779	263395661	/nfs/dbraw/zinc/39/56/61/263395661.db2.gz	QIQOEAXFOHPPEJ-UHFFFAOYSA-N	0	0	367.317	4.324	40	5		FIBBRN
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1Cl	ZINC000160287168	263455883	/nfs/dbraw/zinc/45/58/83/263455883.db2.gz	OAFHNTDFIBJTOF-UHFFFAOYSA-N	0	0	358.206	4.027	40	5		FIBBRN
CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O	ZINC000408817841	263498620	/nfs/dbraw/zinc/49/86/20/263498620.db2.gz	YMXQNDTXIOILKM-QPEQYQDCSA-N	0	0	364.766	4.174	40	5		FIBBRN
CC(C)Oc1ccc(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000217894031	519778955	/nfs/dbraw/zinc/77/89/55/519778955.db2.gz	RDSJAHXLRFCCGO-NTEUORMPSA-N	0	0	368.433	4.144	40	5		FIBBRN
CCCOc1ccccc1CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000217941734	520474448	/nfs/dbraw/zinc/47/44/48/520474448.db2.gz	WBXYOTQUUHIZTC-UHFFFAOYSA-N	0	0	356.422	4.055	40	5		FIBBRN
CCCOc1ccccc1CCCNC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000217875806	520475298	/nfs/dbraw/zinc/47/52/98/520475298.db2.gz	POGWAYFHGKTOIV-UHFFFAOYSA-N	0	0	356.422	4.055	40	5		FIBBRN
Cc1c(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cccc1[N+](=O)[O-]	ZINC000021577101	568136070	/nfs/dbraw/zinc/13/60/70/568136070.db2.gz	XMUSLTBSDLADDD-UHFFFAOYSA-N	0	0	357.385	4.285	40	5		FIBBRN
Cc1cccc(NC(=O)/C=C/c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)c1	ZINC000408534578	570566957	/nfs/dbraw/zinc/56/69/57/570566957.db2.gz	VPHOLHALTKNQEM-CMDGGOBGSA-N	0	0	360.373	4.012	40	5		FIBBRN
O=C(NCc1ccccc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000408624214	570570761	/nfs/dbraw/zinc/57/07/61/570570761.db2.gz	UZOHDYKXKQLGGH-UHFFFAOYSA-N	0	0	356.765	4.438	40	5		FIBBRN
Cc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1cccs1)=N2	ZINC000004129800	570664618	/nfs/dbraw/zinc/66/46/18/570664618.db2.gz	JQHNIVSESUYMKJ-UHFFFAOYSA-N	0	0	362.414	4.399	40	5		FIBBRN
CC(C)OC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000005727320	570861912	/nfs/dbraw/zinc/86/19/12/570861912.db2.gz	RGHSJMQMHLNVEO-UHFFFAOYSA-N	0	0	362.769	4.066	40	5		FIBBRN
O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000005757932	570880211	/nfs/dbraw/zinc/88/02/11/570880211.db2.gz	VUOFBBHTZFZLAZ-UHFFFAOYSA-N	0	0	368.389	4.337	40	5		FIBBRN
CC1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2O1	ZINC000013674892	571110649	/nfs/dbraw/zinc/11/06/49/571110649.db2.gz	DPJRHONPOLVHEP-OAHLLOKOSA-N	0	0	360.797	4.280	40	5		FIBBRN
CCCCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC	ZINC000015409868	571139225	/nfs/dbraw/zinc/13/92/25/571139225.db2.gz	MFVPHZCZZMSUTQ-UHFFFAOYSA-N	0	0	358.394	4.343	40	5		FIBBRN
Cc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)cc1	ZINC000222818720	571147700	/nfs/dbraw/zinc/14/77/00/571147700.db2.gz	WPRQLAFYTUBSRS-UHFFFAOYSA-N	0	0	374.809	4.327	40	5		FIBBRN
Cc1cc(C(=O)NCCOc2ccccc2C(C)(C)C)ccc1[N+](=O)[O-]	ZINC000223669330	571160598	/nfs/dbraw/zinc/16/05/98/571160598.db2.gz	HKUYBLRKVOEEKX-UHFFFAOYSA-N	0	0	356.422	4.010	40	5		FIBBRN
O=Cc1cn(Cc2ccccc2[N+](=O)[O-])c2ccc(Br)cc12	ZINC000006392602	571183457	/nfs/dbraw/zinc/18/34/57/571183457.db2.gz	SSILRYBCYPMYDE-UHFFFAOYSA-N	0	0	359.179	4.173	40	5		FIBBRN
CCN(CC)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000006629912	571237261	/nfs/dbraw/zinc/23/72/61/571237261.db2.gz	LTIMAQIPUCBRAQ-FMIVXFBMSA-N	0	0	353.422	4.401	40	5		FIBBRN
CCc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000007093740	571260795	/nfs/dbraw/zinc/26/07/95/571260795.db2.gz	UZAKPOSOAROWCG-CQSZACIVSA-N	0	0	358.463	4.268	40	5		FIBBRN
O=C(OCc1cccc([N+](=O)[O-])c1)c1c2ccccc2nc2c1CCCC2	ZINC000006252761	571295638	/nfs/dbraw/zinc/29/56/38/571295638.db2.gz	DBBZMMTZWYKFOY-UHFFFAOYSA-N	0	0	362.385	4.379	40	5		FIBBRN
O=C(Nc1cccc2ccccc21)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1	ZINC000008382068	571301240	/nfs/dbraw/zinc/30/12/40/571301240.db2.gz	SPBKXWBHSNHDHA-UHFFFAOYSA-N	0	0	370.368	4.457	40	5		FIBBRN
O=C(Nc1ccc(Br)cc1)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225990972	571339074	/nfs/dbraw/zinc/33/90/74/571339074.db2.gz	RMXFINIIFYRBCC-UHFFFAOYSA-N	0	0	361.195	4.028	40	5		FIBBRN
CCCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1	ZINC000003016577	571343468	/nfs/dbraw/zinc/34/34/68/571343468.db2.gz	IOOGAILYDCIEKS-UHFFFAOYSA-N	0	0	368.846	4.475	40	5		FIBBRN
CCCOc1ccccc1CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000217888328	571351415	/nfs/dbraw/zinc/35/14/15/571351415.db2.gz	KTAYZNMLNOGPLW-OUKQBFOZSA-N	0	0	368.433	4.146	40	5		FIBBRN
O=[N+]([O-])c1ccc(/C(=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)o1	ZINC000031759562	571353546	/nfs/dbraw/zinc/35/35/46/571353546.db2.gz	OOGFHEVYRLDFOY-ATVHPVEESA-N	0	0	373.361	4.299	40	5		FIBBRN
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2NN=C(c3ccccc3)S2)cc1	ZINC000059408983	571357019	/nfs/dbraw/zinc/35/70/19/571357019.db2.gz	OEQJFDWYODBLTD-GOSISDBHSA-N	0	0	350.403	4.082	40	5		FIBBRN
Cc1c(C(=O)Nc2ccccc2C(=O)c2ccccc2)cccc1[N+](=O)[O-]	ZINC000217875593	222674517	/nfs/dbraw/zinc/67/45/17/222674517.db2.gz	SGZTUGKCOFTANT-UHFFFAOYSA-N	0	0	360.369	4.387	40	5		FIBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000217895473	222674593	/nfs/dbraw/zinc/67/45/93/222674593.db2.gz	SWNDISNDKOZOKI-JGZYNSJSSA-N	0	0	366.417	4.335	40	5		FIBBRN
O=[N+]([O-])c1ccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1	ZINC000096193803	210094092	/nfs/dbraw/zinc/09/40/92/210094092.db2.gz	KMPSPXMFACPNKM-UHFFFAOYSA-N	0	0	363.358	4.174	40	5		FIBBRN
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1-c1ccc(CO)o1	ZINC000020140952	211269839	/nfs/dbraw/zinc/26/98/39/211269839.db2.gz	XCOXGSWWSZFLTM-UHFFFAOYSA-N	0	0	366.373	4.216	40	5		FIBBRN
Cc1sc2c(c1C)c(=O)nc1c3ccccc3/c(=C\c3ccccc3F)n12	ZINC000016756687	211167523	/nfs/dbraw/zinc/16/75/23/211167523.db2.gz	NOKQYKWJCFHRDS-WOJGMQOQSA-N	0	0	374.440	4.366	40	5		FIBBRN
CC(=O)Nc1cccc(Oc2ccc(Br)cc2[N+](=O)[O-])c1	ZINC000001693762	210366648	/nfs/dbraw/zinc/36/66/48/210366648.db2.gz	QBSQRPUWMSWNIL-UHFFFAOYSA-N	0	0	351.156	4.108	40	5		FIBBRN
O=C1c2cccnc2-c2nccc3c4ccc(Br)cc4nc1c32	ZINC000001637466	210363626	/nfs/dbraw/zinc/36/36/26/210363626.db2.gz	CPXBDTZAJSRIKJ-UHFFFAOYSA-N	0	0	362.186	4.152	40	5		FIBBRN
CCOc1ccc(N(Cc2cccc([N+](=O)[O-])c2)C(=O)c2ccco2)cc1	ZINC000000853573	210281194	/nfs/dbraw/zinc/28/11/94/210281194.db2.gz	NWWVKBINLYLYKS-UHFFFAOYSA-N	0	0	366.373	4.434	40	5		FIBBRN
O=[N+]([O-])c1ccc(N2[C@@H](c3ccccc3[N+](=O)[O-])C2(Cl)Cl)cc1	ZINC000005331524	263340092	/nfs/dbraw/zinc/34/00/92/263340092.db2.gz	MENMVEDPKVLJAH-CWQZNGJJSA-N	0	0	354.149	4.196	40	5		FIBBRN
COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(C)c2[N+](=O)[O-])cc1	ZINC000005337615	263340322	/nfs/dbraw/zinc/34/03/22/263340322.db2.gz	GDVFRIQZMYJKRW-UHFFFAOYSA-N	0	0	365.393	4.497	40	5		FIBBRN
O=[N+]([O-])c1ccc(NCCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000005335677	263340499	/nfs/dbraw/zinc/34/04/99/263340499.db2.gz	RLNBRHWLHASOIB-UHFFFAOYSA-N	0	0	350.762	4.071	40	5		FIBBRN
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc(Cl)c1Cl	ZINC000160328563	263455871	/nfs/dbraw/zinc/45/58/71/263455871.db2.gz	NCUNVRMDDUJKDK-UHFFFAOYSA-N	0	0	358.206	4.027	40	5		FIBBRN
CC(C)c1ccc(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000217898710	519835540	/nfs/dbraw/zinc/83/55/40/519835540.db2.gz	HDOLEZBCFCRWDS-NTEUORMPSA-N	0	0	352.434	4.480	40	5		FIBBRN
CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000019932857	523038243	/nfs/dbraw/zinc/03/82/43/523038243.db2.gz	BBLSGWPQEFUMDY-MRXNPFEDSA-N	0	0	358.394	4.016	40	5		FIBBRN
Cc1cc(C(=O)NCCSCc2cccc(Cl)c2)ccc1[N+](=O)[O-]	ZINC000408563850	570567752	/nfs/dbraw/zinc/56/77/52/570567752.db2.gz	RWWMVBZSZANUEV-UHFFFAOYSA-N	0	0	364.854	4.220	40	5		FIBBRN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(C(F)(F)F)n1	ZINC000408581509	570569203	/nfs/dbraw/zinc/56/92/03/570569203.db2.gz	IQISKGPXDPAUKL-UHFFFAOYSA-N	0	0	357.313	4.066	40	5		FIBBRN
COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)c([N+](=O)[O-])c1	ZINC000408623315	570570584	/nfs/dbraw/zinc/57/05/84/570570584.db2.gz	SSEXOCLJMITIKK-UHFFFAOYSA-N	0	0	371.176	4.171	40	5		FIBBRN
COc1ccc(Cl)cc1NC(=O)CSCc1cccc([N+](=O)[O-])c1	ZINC000408726981	570573329	/nfs/dbraw/zinc/57/33/29/570573329.db2.gz	ODBNZACKXPFIFO-UHFFFAOYSA-N	0	0	366.826	4.129	40	5		FIBBRN
O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1CC12CC3CC(CC(C3)C1)C2	ZINC000005008361	570675118	/nfs/dbraw/zinc/67/51/18/570675118.db2.gz	IPDDNNZDDIJKCG-KSVHXXFXSA-N	0	0	372.490	4.385	40	5		FIBBRN
Cc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c(C)cc2c1	ZINC000005014957	570676528	/nfs/dbraw/zinc/67/65/28/570676528.db2.gz	CFPRTOXXWUIFIM-UHFFFAOYSA-N	0	0	367.430	4.491	40	5		FIBBRN
O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccc([N+](=O)[O-])cc1	ZINC000408977887	570707026	/nfs/dbraw/zinc/70/70/26/570707026.db2.gz	YTCPEOPMAXIVLT-CAOOACKPSA-N	0	0	352.390	4.107	40	5		FIBBRN
O=C1S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409194638	570738478	/nfs/dbraw/zinc/73/84/78/570738478.db2.gz	QAIXOBBLIKMLIS-YRNVUSSQSA-N	0	0	350.739	4.082	40	5		FIBBRN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000014399384	570849623	/nfs/dbraw/zinc/84/96/23/570849623.db2.gz	AMARTSAHLBGCEH-MRXNPFEDSA-N	0	0	364.785	4.053	40	5		FIBBRN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCCC2)cc1	ZINC000014401164	570853605	/nfs/dbraw/zinc/85/36/05/570853605.db2.gz	FUFJSFNRIBKNEZ-UHFFFAOYSA-N	0	0	359.813	4.491	40	5		FIBBRN
CC(C)(C)c1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000040169567	571089414	/nfs/dbraw/zinc/08/94/14/571089414.db2.gz	WGGITAHWXFKDLN-UHFFFAOYSA-N	0	0	352.394	4.256	40	5		FIBBRN
O=C(NCCOc1cccc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005876592	571167405	/nfs/dbraw/zinc/16/74/05/571167405.db2.gz	CQXKAIMLJHCMSA-UHFFFAOYSA-N	0	0	370.792	4.210	40	5		FIBBRN
O=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc12	ZINC000006392202	571183476	/nfs/dbraw/zinc/18/34/76/571183476.db2.gz	IDDLDNNNTOJMAN-UHFFFAOYSA-N	0	0	359.179	4.173	40	5		FIBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2	ZINC000006505378	571205685	/nfs/dbraw/zinc/20/56/85/571205685.db2.gz	TWWUPDMCMLZZEE-DUXPYHPUSA-N	0	0	360.841	4.346	40	5		FIBBRN
O=C(Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)c1ccccc1	ZINC000006595299	571211384	/nfs/dbraw/zinc/21/13/84/571211384.db2.gz	QTEKNRNVFQWQOB-UHFFFAOYSA-N	0	0	361.357	4.099	40	5		FIBBRN
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000006613946	571237085	/nfs/dbraw/zinc/23/70/85/571237085.db2.gz	LAVHQDJUBZSWQL-UHFFFAOYSA-N	0	0	359.813	4.409	40	5		FIBBRN
Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(F)cc1	ZINC000006994115	571256488	/nfs/dbraw/zinc/25/64/88/571256488.db2.gz	NXFVGPYAHMSWAK-UHFFFAOYSA-N	0	0	357.366	4.418	40	5		FIBBRN
O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000215014884	571293719	/nfs/dbraw/zinc/29/37/19/571293719.db2.gz	UPMCEBMBFRLSRK-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
COC(=O)c1ccc(NC(=O)Nc2cc3cccnc3c3cccnc23)cc1	ZINC000006228881	571295517	/nfs/dbraw/zinc/29/55/17/571295517.db2.gz	YEFAAPSZVZWQAZ-UHFFFAOYSA-N	0	0	372.384	4.214	40	5		FIBBRN
CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000006630668	571296955	/nfs/dbraw/zinc/29/69/55/571296955.db2.gz	UBYHZUQAGIWNMY-AYOQOUSVSA-N	0	0	368.389	4.016	40	5		FIBBRN
CCN(CC)C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1	ZINC000038187930	571309561	/nfs/dbraw/zinc/30/95/61/571309561.db2.gz	JCRFKWCPPYZBMI-UHFFFAOYSA-N	0	0	350.447	4.270	40	5		FIBBRN
CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(C)c1	ZINC000225683019	571337812	/nfs/dbraw/zinc/33/78/12/571337812.db2.gz	WBHIAOQYVKBUIS-MZEUMTGBSA-N	0	0	354.406	4.193	40	5		FIBBRN
CC[C@H](C)NC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O	ZINC000006624361	210232156	/nfs/dbraw/zinc/23/21/56/210232156.db2.gz	KLVCXTCGFROLIB-ZDUSSCGKSA-N	0	0	369.424	4.120	40	5	biogenic	FIBBRN
COc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)c([N+](=O)[O-])c1	ZINC000039892691	210042264	/nfs/dbraw/zinc/04/22/64/210042264.db2.gz	KZVIWGCXDIXBJN-UHFFFAOYSA-N	0	0	354.362	4.148	40	5		FIBBRN
CCCc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000223434659	222778855	/nfs/dbraw/zinc/77/88/55/222778855.db2.gz	HGRISUTYNDZLKA-UHFFFAOYSA-N	0	0	362.813	4.010	40	5		FIBBRN
O=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccc(Br)cc12	ZINC000006815685	219774500	/nfs/dbraw/zinc/77/45/00/219774500.db2.gz	OWKBCYMCPLTXDE-UHFFFAOYSA-N	0	0	359.179	4.173	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	ZINC000058969471	212015756	/nfs/dbraw/zinc/01/57/56/212015756.db2.gz	HVDDKHMXEOWXNQ-CQSZACIVSA-N	0	0	372.421	4.441	40	5		FIBBRN
O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-]	ZINC000013551566	220073730	/nfs/dbraw/zinc/07/37/30/220073730.db2.gz	STZJMJGSRVMQKO-VLVOFSMPSA-N	0	0	354.749	4.149	40	5		FIBBRN
COc1ccc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000021116986	211307996	/nfs/dbraw/zinc/30/79/96/211307996.db2.gz	SROJYUKIOWYDKY-SNVBAGLBSA-N	0	0	366.826	4.376	40	5		FIBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020141153	211270161	/nfs/dbraw/zinc/27/01/61/211270161.db2.gz	CROZTYKPJVISFJ-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000019932732	211261714	/nfs/dbraw/zinc/26/17/14/211261714.db2.gz	OZOOWRSCJJTEDU-AWEZNQCLSA-N	0	0	364.785	4.053	40	5		FIBBRN
O=c1[nH]c2c(Br)cc(Br)cc2c2ccccc12	ZINC000016953000	211172683	/nfs/dbraw/zinc/17/26/83/211172683.db2.gz	SDHLIQKBPRDVQN-UHFFFAOYSA-N	0	0	353.013	4.206	40	5		FIBBRN
Cc1sc2c(c1C)c(=O)nc1c3ccccc3/c(=C\c3ccccc3)n12	ZINC000016756693	211168068	/nfs/dbraw/zinc/16/80/68/211168068.db2.gz	YVEUTLKOVNUEFE-LDADJPATSA-N	0	0	356.450	4.227	40	5		FIBBRN
CCSc1nc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccco3)n2n1	ZINC000013637405	211044323	/nfs/dbraw/zinc/04/43/23/211044323.db2.gz	UQLLLBJSLNAICN-UHFFFAOYSA-N	0	0	367.390	4.072	40	5		FIBBRN
O=C(Oc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000001615455	210362594	/nfs/dbraw/zinc/36/25/94/210362594.db2.gz	QGOWMBGAJZTBQG-UHFFFAOYSA-N	0	0	373.104	4.388	40	5		FIBBRN
C[C@]12C[C@H](NC(=O)N1c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1O2	ZINC000002601942	132383688	/nfs/dbraw/zinc/38/36/88/132383688.db2.gz	VBPVWFUKIAIHSU-YOEHRIQHSA-N	0	0	359.769	4.018	40	5		FIBBRN
CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC	ZINC000408568039	263473523	/nfs/dbraw/zinc/47/35/23/263473523.db2.gz	RRNOPYKARMFVFC-WUXMJOGZSA-N	0	0	370.405	4.434	40	5		FIBBRN
CCOc1ccc(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000217871922	520947411	/nfs/dbraw/zinc/94/74/11/520947411.db2.gz	ZPVZUEMBZTZOTP-UHFFFAOYSA-N	0	0	362.813	4.010	40	5		FIBBRN
Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1C	ZINC000020196842	524695920	/nfs/dbraw/zinc/69/59/20/524695920.db2.gz	HAEBQBWKTINXQT-UHFFFAOYSA-N	0	0	355.419	4.478	40	5		FIBBRN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])o1	ZINC000408541922	570567349	/nfs/dbraw/zinc/56/73/49/570567349.db2.gz	GNEVCQZCWMFUOO-YVMONPNESA-N	0	0	371.305	4.238	40	5		FIBBRN
Cc1cccc(CSCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000408577323	570568803	/nfs/dbraw/zinc/56/88/03/570568803.db2.gz	YMLFIVNQBPYLGO-UHFFFAOYSA-N	0	0	364.854	4.220	40	5		FIBBRN
Cc1noc(/C=C/c2c(C)nn(-c3ccc(C)c(C)c3)c2C)c1[N+](=O)[O-]	ZINC000408994966	570579007	/nfs/dbraw/zinc/57/90/07/570579007.db2.gz	KADXPXDOUZICOU-CMDGGOBGSA-N	0	0	352.394	4.481	40	5		FIBBRN
CCOc1ccc(-n2c(C)nnc2SCc2cccc([N+](=O)[O-])c2)cc1	ZINC000409101652	570581396	/nfs/dbraw/zinc/58/13/96/570581396.db2.gz	QCKZPUPORNNFDX-UHFFFAOYSA-N	0	0	370.434	4.175	40	5		FIBBRN
COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCCC[C@H]23)c1OC	ZINC000409189074	570583247	/nfs/dbraw/zinc/58/32/47/570583247.db2.gz	IDNSHHDECISOSI-UPRAQXHNSA-N	0	0	370.405	4.247	40	5		FIBBRN
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(C)c1	ZINC000225876803	570634154	/nfs/dbraw/zinc/63/41/54/570634154.db2.gz	LSRMPFZEWCXQMV-MRXNPFEDSA-N	0	0	362.813	4.446	40	5		FIBBRN
COc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	ZINC000004893841	570673051	/nfs/dbraw/zinc/67/30/51/570673051.db2.gz	NCLSZASCZIYZSH-UHFFFAOYSA-N	0	0	352.346	4.424	40	5		FIBBRN
COc1ccc(C(=O)Nc2nc3c(cc(C)cc3C)s2)cc1[N+](=O)[O-]	ZINC000005637484	570682783	/nfs/dbraw/zinc/68/27/83/570682783.db2.gz	NJFQVMIKBBULSW-UHFFFAOYSA-N	0	0	357.391	4.082	40	5		FIBBRN
CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O	ZINC000408819766	570689976	/nfs/dbraw/zinc/68/99/76/570689976.db2.gz	SXESXWVNVLEHED-QPEQYQDCSA-N	0	0	364.766	4.174	40	5		FIBBRN
Cc1cc(-c2ccccc2)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1	ZINC000409385423	570755113	/nfs/dbraw/zinc/75/51/13/570755113.db2.gz	LOSFGRBOITYSAQ-UHFFFAOYSA-N	0	0	368.374	4.420	40	5		FIBBRN
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000014258469	570846542	/nfs/dbraw/zinc/84/65/42/570846542.db2.gz	TTZDGLCBCLNAKF-UHFFFAOYSA-N	0	0	361.785	4.157	40	5		FIBBRN
Cc1c(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cccc1[N+](=O)[O-]	ZINC000222991294	571044712	/nfs/dbraw/zinc/04/47/12/571044712.db2.gz	MOEMXDUAMSBKBN-CQSZACIVSA-N	0	0	354.406	4.188	40	5		FIBBRN
O=[N+]([O-])c1ccc(-c2n[nH]c(COc3cccc(Cl)c3Cl)n2)cc1	ZINC000040169549	571089473	/nfs/dbraw/zinc/08/94/73/571089473.db2.gz	WWFYFZQCBBGFQG-UHFFFAOYSA-N	0	0	365.176	4.266	40	5		FIBBRN
Cc1nn2c(ncc(-c3ccc([N+](=O)[O-])cc3)c2N)c1-c1ccc(F)cc1	ZINC000040385270	571095177	/nfs/dbraw/zinc/09/51/77/571095177.db2.gz	TYEIJFMKUYQXEW-UHFFFAOYSA-N	0	0	363.352	4.001	40	5		FIBBRN
CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2[N+](=O)[O-])CC1	ZINC000032517478	571110225	/nfs/dbraw/zinc/11/02/25/571110225.db2.gz	NQASGNFLEVKZII-UHFFFAOYSA-N	0	0	374.828	4.132	40	5		FIBBRN
CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000223376929	571116069	/nfs/dbraw/zinc/11/60/69/571116069.db2.gz	RDYUGJYTNPVOSA-KPKJPENVSA-N	0	0	368.433	4.101	40	5		FIBBRN
CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C	ZINC000223439593	571121844	/nfs/dbraw/zinc/12/18/44/571121844.db2.gz	GMJZNCFWMRXPDI-UHFFFAOYSA-N	0	0	372.855	4.079	40	5		FIBBRN
Cc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)s1	ZINC000205657588	571140869	/nfs/dbraw/zinc/14/08/69/571140869.db2.gz	ZLGHAKCVEVISPM-RIYZIHGNSA-N	0	0	360.416	4.201	40	5		FIBBRN
O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225991132	571203204	/nfs/dbraw/zinc/20/32/04/571203204.db2.gz	MOCGVFSPMUZFCX-UHFFFAOYSA-N	0	0	350.296	4.284	40	5		FIBBRN
O=C(COc1cccc2c1CCCC2)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000224836902	571281918	/nfs/dbraw/zinc/28/19/18/571281918.db2.gz	WLVNLRCOYVIJHU-UHFFFAOYSA-N	0	0	360.797	4.145	40	5		FIBBRN
COc1ccc(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1	ZINC000007641048	571285193	/nfs/dbraw/zinc/28/51/93/571285193.db2.gz	XGILLJOINSRCPT-UHFFFAOYSA-N	0	0	369.402	4.288	40	5		FIBBRN
CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225061444	571293757	/nfs/dbraw/zinc/29/37/57/571293757.db2.gz	RJYITZNBSWIJMG-UHFFFAOYSA-N	0	0	370.430	4.272	40	5		FIBBRN
CN(C)c1ccc(NC(=O)Nc2cc3cccnc3c3ncccc23)cc1	ZINC000006356928	571296233	/nfs/dbraw/zinc/29/62/33/571296233.db2.gz	OKUSCVDGHRIZQH-UHFFFAOYSA-N	0	0	357.417	4.493	40	5		FIBBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)CC(C)(C)O2	ZINC000217876363	222674975	/nfs/dbraw/zinc/67/49/75/222674975.db2.gz	RKXSDGDOVDPAFR-INIZCTEOSA-N	0	0	354.406	4.244	40	5		FIBBRN
O=C(CN(c1ccccc1)C1=NCCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000008436126	210097799	/nfs/dbraw/zinc/09/77/99/210097799.db2.gz	XRQNZVZROXAXBU-UHFFFAOYSA-N	0	0	351.406	4.257	40	5		FIBBRN
O=C(CSCc1ccccc1F)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000222704936	222746492	/nfs/dbraw/zinc/74/64/92/222746492.db2.gz	YEMHZHVFEQPBHU-UHFFFAOYSA-N	0	0	354.790	4.259	40	5		FIBBRN
CCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC	ZINC000000936402	210073141	/nfs/dbraw/zinc/07/31/41/210073141.db2.gz	PAKQUWRLIPYHPK-PKNBQFBNSA-N	0	0	356.378	4.044	40	5		FIBBRN
C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2	ZINC000222901492	222756164	/nfs/dbraw/zinc/75/61/64/222756164.db2.gz	MPIHEWUFZHFLGX-NRUITVPNSA-N	0	0	350.418	4.364	40	5		FIBBRN
CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)c(C)c1	ZINC000225288885	222833881	/nfs/dbraw/zinc/83/38/81/222833881.db2.gz	FBXLXACLEBKPFX-HNNXBMFYSA-N	0	0	362.813	4.446	40	5		FIBBRN
CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C)n1	ZINC000225859882	222875903	/nfs/dbraw/zinc/87/59/03/222875903.db2.gz	IWQJYLOAGDTYAD-UHFFFAOYSA-N	0	0	369.421	4.147	40	5		FIBBRN
COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1Br	ZINC000073639492	211688538	/nfs/dbraw/zinc/68/85/38/211688538.db2.gz	CROLAZFNHAAOLH-UHFFFAOYSA-N	0	0	363.167	4.483	40	5		FIBBRN
O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000020140894	211270908	/nfs/dbraw/zinc/27/09/08/211270908.db2.gz	VXMFUMHYIMVCDB-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000019932730	211262157	/nfs/dbraw/zinc/26/21/57/211262157.db2.gz	OZOOWRSCJJTEDU-CQSZACIVSA-N	0	0	364.785	4.053	40	5		FIBBRN
O=C(NCCOc1cccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005876609	210645811	/nfs/dbraw/zinc/64/58/11/210645811.db2.gz	CIIJQPGCPLQYBB-UHFFFAOYSA-N	0	0	370.792	4.210	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc2ccccc21	ZINC000006010574	210652942	/nfs/dbraw/zinc/65/29/42/210652942.db2.gz	KFVYGTTUMVLEDO-CYBMUJFWSA-N	0	0	366.373	4.163	40	5		FIBBRN
CCCCOC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000001801429	210371711	/nfs/dbraw/zinc/37/17/11/210371711.db2.gz	LQFYEGZMPTYODH-ZHACJKMWSA-N	0	0	368.389	4.204	40	5		FIBBRN
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000021125707	263383478	/nfs/dbraw/zinc/38/34/78/263383478.db2.gz	VWQOZAHDLUPRCE-VIFPVBQESA-N	0	0	355.177	4.308	40	5		FIBBRN
O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1	ZINC000210199507	570537553	/nfs/dbraw/zinc/53/75/53/570537553.db2.gz	NGCCOCAGHHOOAI-RIYZIHGNSA-N	0	0	360.778	4.489	40	5		FIBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C)cc2)n1-c1ccc(C)cc1	ZINC000408577435	570561511	/nfs/dbraw/zinc/56/15/11/570561511.db2.gz	ZMFDHNMBSPMSBD-SFHVURJKSA-N	0	0	368.462	4.303	40	5		FIBBRN
O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408530641	570565997	/nfs/dbraw/zinc/56/59/97/570565997.db2.gz	QETAPMYUCCUFEA-UHFFFAOYSA-N	0	0	373.727	4.064	40	5		FIBBRN
Cc1cc(C(=O)NCCSCc2ccccc2Cl)ccc1[N+](=O)[O-]	ZINC000408573905	570568910	/nfs/dbraw/zinc/56/89/10/570568910.db2.gz	FCMIJFFMJUVQHE-UHFFFAOYSA-N	0	0	364.854	4.220	40	5		FIBBRN
COc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000408619961	570570272	/nfs/dbraw/zinc/57/02/72/570570272.db2.gz	DYXHIKDZWYDVAD-UHFFFAOYSA-N	0	0	371.176	4.171	40	5		FIBBRN
O=Cc1ccc(-c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)o1	ZINC000409182332	570583748	/nfs/dbraw/zinc/58/37/48/570583748.db2.gz	JYUXDTJFRLYMQQ-UHFFFAOYSA-N	0	0	351.314	4.024	40	5		FIBBRN
COc1cc2nc3c4cc(Br)ccc4n(C)c3nc2cc1OC	ZINC000005014101	570618399	/nfs/dbraw/zinc/61/83/99/570618399.db2.gz	MAJYVCHIDLXJHY-UHFFFAOYSA-N	0	0	372.222	4.054	40	5		FIBBRN
Cc1cccc2c1[nH]c1c3[nH]c4c(cccc4C)c3c3c(c21)C(=O)NC3=O	ZINC000006523167	570648849	/nfs/dbraw/zinc/64/88/49/570648849.db2.gz	DYJPDRYQOSBRFK-UHFFFAOYSA-N	0	0	353.381	4.456	40	5		FIBBRN
O=[N+]([O-])c1ccc(C2=NNC(c3ccccc3)=Nc3ccc(F)cc32)cc1	ZINC000004129813	570664574	/nfs/dbraw/zinc/66/45/74/570664574.db2.gz	WWCJYFICVSGGIJ-UHFFFAOYSA-N	0	0	360.348	4.168	40	5		FIBBRN
COc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(C)c2[N+](=O)[O-])cc1	ZINC000004797395	570669362	/nfs/dbraw/zinc/66/93/62/570669362.db2.gz	XLYYBRCVMMVOIF-UHFFFAOYSA-N	0	0	369.356	4.328	40	5		FIBBRN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)S2)cc1	ZINC000408773365	570685467	/nfs/dbraw/zinc/68/54/67/570685467.db2.gz	KDMXXFGLHYERKK-XGHXRCDJSA-N	0	0	369.446	4.065	40	5		FIBBRN
O=C(Nc1ccc(Br)cc1)c1coc2ccc([N+](=O)[O-])cc12	ZINC000408965451	570704716	/nfs/dbraw/zinc/70/47/16/570704716.db2.gz	HOOPDQOTBCWNQB-UHFFFAOYSA-N	0	0	361.151	4.356	40	5		FIBBRN
CCCNC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	ZINC000408975214	570705868	/nfs/dbraw/zinc/70/58/68/570705868.db2.gz	KLCXGLKBQJKCBU-UHFFFAOYSA-N	0	0	367.412	4.019	40	5		FIBBRN
O=c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2sc3c(c21)CCCC3	ZINC000046701835	570832692	/nfs/dbraw/zinc/83/26/92/570832692.db2.gz	HHXKLZQYQSQDHB-UHFFFAOYSA-N	0	0	361.810	4.092	40	5		FIBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccccc1Cl	ZINC000014258333	570846610	/nfs/dbraw/zinc/84/66/10/570846610.db2.gz	WAADLNADSQHTIT-UHFFFAOYSA-N	0	0	355.177	4.228	40	5		FIBBRN
Cc1ccc(CSCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000018701103	570853776	/nfs/dbraw/zinc/85/37/76/570853776.db2.gz	COJKRKXCXHJKDL-UHFFFAOYSA-N	0	0	364.854	4.220	40	5		FIBBRN
COc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl	ZINC000017074831	570869554	/nfs/dbraw/zinc/86/95/54/570869554.db2.gz	RLSBVJINGZIDBN-UHFFFAOYSA-N	0	0	363.782	4.119	40	5		FIBBRN
CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2	ZINC000223022331	571045505	/nfs/dbraw/zinc/04/55/05/571045505.db2.gz	CJMQNZSQNCEGGR-LJQANCHMSA-N	0	0	352.434	4.284	40	5		FIBBRN
O=C(Nc1ccccc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000042645463	571123377	/nfs/dbraw/zinc/12/33/77/571123377.db2.gz	SYOGVIKNPRTFHX-UHFFFAOYSA-N	0	0	361.357	4.099	40	5		FIBBRN
Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cc1	ZINC000222665859	571146148	/nfs/dbraw/zinc/14/61/48/571146148.db2.gz	UMTXORIPYMBCCP-UHFFFAOYSA-N	0	0	374.809	4.327	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)cc1	ZINC000015410537	571211959	/nfs/dbraw/zinc/21/19/59/571211959.db2.gz	SCPRIUMMPBHWJH-UHFFFAOYSA-N	0	0	350.827	4.429	40	5		FIBBRN
CCOC(=O)c1ccc(-c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])o2)cc1	ZINC000006656127	571239146	/nfs/dbraw/zinc/23/91/46/571239146.db2.gz	HVBZYNTXXBQWJT-PKNBQFBNSA-N	0	0	368.345	4.498	40	5		FIBBRN
O=C(NCc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000006885186	571252517	/nfs/dbraw/zinc/25/25/17/571252517.db2.gz	CXMPXKNSGVLFEE-UHFFFAOYSA-N	0	0	356.765	4.438	40	5		FIBBRN
CCCOc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1	ZINC000017073760	571274868	/nfs/dbraw/zinc/27/48/68/571274868.db2.gz	OEANKCGDEYJNGY-UHFFFAOYSA-N	0	0	357.391	4.246	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(C)C)c(OC)cc1C	ZINC000225659554	571275678	/nfs/dbraw/zinc/27/56/78/571275678.db2.gz	POTDVIIMZWYZHX-UHFFFAOYSA-N	0	0	358.394	4.296	40	5		FIBBRN
CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225081786	571293898	/nfs/dbraw/zinc/29/38/98/571293898.db2.gz	QGUYHTYLIJDRIU-UHFFFAOYSA-N	0	0	368.842	4.080	40	5		FIBBRN
CCOc1ccc(C(=O)Nc2nc3c(s2)c(C)ccc3C)cc1[N+](=O)[O-]	ZINC000024554129	571305170	/nfs/dbraw/zinc/30/51/70/571305170.db2.gz	ASAFEQQPBXFZOX-UHFFFAOYSA-N	0	0	371.418	4.472	40	5		FIBBRN
O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccccc1F	ZINC000033714932	571305725	/nfs/dbraw/zinc/30/57/25/571305725.db2.gz	JVCJBAHIPSGMJU-BQYQJAHWSA-N	0	0	352.159	4.415	40	5		FIBBRN
CCC1(CC)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1	ZINC000225265737	571318560	/nfs/dbraw/zinc/31/85/60/571318560.db2.gz	GTKDLUJXIYKVKQ-KRWDZBQOSA-N	0	0	354.406	4.407	40	5		FIBBRN
Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC(C)(C)O2	ZINC000217888927	571351423	/nfs/dbraw/zinc/35/14/23/571351423.db2.gz	QESNWHZYYAOHBJ-LNENJAERSA-N	0	0	366.417	4.335	40	5		FIBBRN
CCOc1ccc2c(c1)c1ccnc3c1n2c(=O)c1c3ccc(OC)c1OC	ZINC000006624282	210232324	/nfs/dbraw/zinc/23/23/24/210232324.db2.gz	XRPTVIUQNIKZFX-UHFFFAOYSA-N	0	0	374.396	4.008	40	5	biogenic	FIBBRN
O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1cccc([N+](=O)[O-])c1	ZINC000002793223	210078126	/nfs/dbraw/zinc/07/81/26/210078126.db2.gz	DPMNVZJSMFUVGK-UHFFFAOYSA-N	0	0	365.317	4.058	40	5		FIBBRN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccnc2c3ccccc3ccc12	ZINC000040384351	210044120	/nfs/dbraw/zinc/04/41/20/210044120.db2.gz	WQJDLUHYIQDDBT-UHFFFAOYSA-N	0	0	373.368	4.314	40	5		FIBBRN
CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000063848769	212033872	/nfs/dbraw/zinc/03/38/72/212033872.db2.gz	VODZHESTWIZVAW-UHFFFAOYSA-N	0	0	368.414	4.087	40	5		FIBBRN
CC(C)(C)OC(=O)N1CCC[C@@H](c2nc3ccccc3cc2[N+](=O)[O-])C1	ZINC000014000405	220101722	/nfs/dbraw/zinc/10/17/22/220101722.db2.gz	HNIWIQSTBXSQNS-CQSZACIVSA-N	0	0	357.410	4.258	40	5		FIBBRN
Cc1c(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cccc1[N+](=O)[O-]	ZINC000014287473	211091432	/nfs/dbraw/zinc/09/14/32/211091432.db2.gz	IBPZCWHWASFTFJ-UHFFFAOYSA-N	0	0	369.352	4.269	40	5		FIBBRN
Cc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-]	ZINC000013647267	211047085	/nfs/dbraw/zinc/04/70/85/211047085.db2.gz	ICILPDRWSYGXGQ-UHFFFAOYSA-N	0	0	356.422	4.053	40	5		FIBBRN
CC1(C)C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1	ZINC000013647536	211045802	/nfs/dbraw/zinc/04/58/02/211045802.db2.gz	QUJSDRRCHARFRX-AWEZNQCLSA-N	0	0	360.797	4.280	40	5		FIBBRN
Cc1[nH]c2c3ccc4c(=O)c(Cl)c(C)[nH]c4c3ccc2c(=O)c1Cl	ZINC000005503721	210623397	/nfs/dbraw/zinc/62/33/97/210623397.db2.gz	PSCKQHXFENVLLT-UHFFFAOYSA-N	0	0	359.212	4.446	40	5		FIBBRN
Cc1ccccc1OCCCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000001777515	210370344	/nfs/dbraw/zinc/37/03/44/210370344.db2.gz	XCFIMXPLLFXHNS-UHFFFAOYSA-N	0	0	371.418	4.311	40	5		FIBBRN
O=C(Nc1ccc(Cl)c(Cl)c1)n1ncc2ccc([N+](=O)[O-])cc21	ZINC000001699775	210366592	/nfs/dbraw/zinc/36/65/92/210366592.db2.gz	IDFOHTYJPYZHEX-UHFFFAOYSA-N	0	0	351.149	4.332	40	5		FIBBRN
CCc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1	ZINC000072229502	221452163	/nfs/dbraw/zinc/45/21/63/221452163.db2.gz	GDKBLOHHHIQOFU-UHFFFAOYSA-N	0	0	369.204	4.482	40	5		FIBBRN
Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-]	ZINC000072229454	221452745	/nfs/dbraw/zinc/45/27/45/221452745.db2.gz	HEYGWXBGAJLWNS-UHFFFAOYSA-N	0	0	370.148	4.371	40	5		FIBBRN
COCCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/c1ccccc1	ZINC000103449316	222336292	/nfs/dbraw/zinc/33/62/92/222336292.db2.gz	QYNTUXWYJHJHED-VHEBQXMUSA-N	0	0	355.419	4.004	40	5		FIBBRN
O=C(Nc1cccc(C(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000008470625	263355195	/nfs/dbraw/zinc/35/51/95/263355195.db2.gz	RZCHWHRSXZTBCK-UHFFFAOYSA-N	0	0	361.357	4.099	40	5		FIBBRN
CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2O1	ZINC000010542969	263366619	/nfs/dbraw/zinc/36/66/19/263366619.db2.gz	OYVUMACCXCKHFA-OAHLLOKOSA-N	0	0	360.797	4.280	40	5		FIBBRN
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000408625832	263483301	/nfs/dbraw/zinc/48/33/01/263483301.db2.gz	FUIFXEIUNFYCGL-UHFFFAOYSA-N	0	0	374.356	4.359	40	5		FIBBRN
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000020140938	525752740	/nfs/dbraw/zinc/75/27/40/525752740.db2.gz	PZCFKFIHQKLUCM-UHFFFAOYSA-N	0	0	366.373	4.216	40	5		FIBBRN
Cc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000020039076	525891956	/nfs/dbraw/zinc/89/19/56/525891956.db2.gz	VBAHTVBADORHPW-HNNXBMFYSA-N	0	0	358.463	4.322	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1Cl	ZINC000026765422	568690599	/nfs/dbraw/zinc/69/05/99/568690599.db2.gz	XCVKVPCRNAEWBM-UHFFFAOYSA-N	0	0	350.827	4.429	40	5		FIBBRN
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408624244	570570483	/nfs/dbraw/zinc/57/04/83/570570483.db2.gz	BUJNGNGOMOAVTC-UHFFFAOYSA-N	0	0	374.356	4.359	40	5		FIBBRN
O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1	ZINC000007342075	570586411	/nfs/dbraw/zinc/58/64/11/570586411.db2.gz	ZAYAJRQOWFXGRZ-UHFFFAOYSA-N	0	0	374.809	4.008	40	5		FIBBRN
O=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000005583309	570678052	/nfs/dbraw/zinc/67/80/52/570678052.db2.gz	PGRIGMGKOXWWJP-ZROIWOOFSA-N	0	0	360.778	4.489	40	5		FIBBRN
CC(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000409053167	570715848	/nfs/dbraw/zinc/71/58/48/570715848.db2.gz	LRTAUGKDFACVFU-UHFFFAOYSA-N	0	0	357.366	4.483	40	5		FIBBRN
CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000014399386	570849603	/nfs/dbraw/zinc/84/96/03/570849603.db2.gz	AMARTSAHLBGCEH-INIZCTEOSA-N	0	0	364.785	4.053	40	5		FIBBRN
O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1	ZINC000106681204	570893047	/nfs/dbraw/zinc/89/30/47/570893047.db2.gz	YEVXCRJXQLSPFR-DHDCSXOGSA-N	0	0	374.805	4.485	40	5		FIBBRN
CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000044844570	570901652	/nfs/dbraw/zinc/90/16/52/570901652.db2.gz	JKVSTJCRGVOQMM-OAHLLOKOSA-N	0	0	364.785	4.053	40	5		FIBBRN
CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2	ZINC000223022394	571045464	/nfs/dbraw/zinc/04/54/64/571045464.db2.gz	CJMQNZSQNCEGGR-IBGZPJMESA-N	0	0	352.434	4.284	40	5		FIBBRN
Cc1ccccc1N(CC(=O)c1cccc([N+](=O)[O-])c1)C1=NCCCC1	ZINC000008415754	571045756	/nfs/dbraw/zinc/04/57/56/571045756.db2.gz	HZRLQDJXVURAOE-UHFFFAOYSA-N	0	0	351.406	4.175	40	5		FIBBRN
C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2	ZINC000222901416	571166081	/nfs/dbraw/zinc/16/60/81/571166081.db2.gz	MPIHEWUFZHFLGX-XETPBLJFSA-N	0	0	350.418	4.364	40	5		FIBBRN
COc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1Cl	ZINC000006441336	571193006	/nfs/dbraw/zinc/19/30/06/571193006.db2.gz	LWAYZUKSYUHELM-UHFFFAOYSA-N	0	0	363.782	4.119	40	5		FIBBRN
Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-]	ZINC000192713457	571212259	/nfs/dbraw/zinc/21/22/59/571212259.db2.gz	NPQNLFPKXMVWHA-UHFFFAOYSA-N	0	0	361.206	4.011	40	5		FIBBRN
CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000085346883	571274764	/nfs/dbraw/zinc/27/47/64/571274764.db2.gz	CTMLZIUWQYXVPM-VMPITWQZSA-N	0	0	366.167	4.194	40	5		FIBBRN
Cc1ccccc1Oc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000006218646	571295506	/nfs/dbraw/zinc/29/55/06/571295506.db2.gz	MDYYQJDQXVALIZ-UHFFFAOYSA-N	0	0	374.352	4.496	40	5		FIBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000006595881	571296887	/nfs/dbraw/zinc/29/68/87/571296887.db2.gz	KBFZCSNXVMZEDS-FQEVSTJZSA-N	0	0	361.353	4.376	40	5		FIBBRN
O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000008471200	571301506	/nfs/dbraw/zinc/30/15/06/571301506.db2.gz	ABYKLLPGCSCJHP-ZXTYOHMPSA-N	0	0	372.380	4.043	40	5		FIBBRN
CCCn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1	ZINC000009665500	571302714	/nfs/dbraw/zinc/30/27/14/571302714.db2.gz	ULICHFXZJTXKNC-UHFFFAOYSA-N	0	0	368.462	4.479	40	5		FIBBRN
COc1ccc(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)c(OC)c1	ZINC000005526753	219686826	/nfs/dbraw/zinc/68/68/26/219686826.db2.gz	AHPGYNRWXJXKQE-UHFFFAOYSA-N	0	0	374.392	4.389	40	5		FIBBRN
Cc1ccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1	ZINC000024256079	211404135	/nfs/dbraw/zinc/40/41/35/211404135.db2.gz	PKDQFPICJXTVPJ-QFIPXVFZSA-N	0	0	360.413	4.352	40	5		FIBBRN
O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000020141097	211270212	/nfs/dbraw/zinc/27/02/12/211270212.db2.gz	XKLMCHPQGSABNE-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	ZINC000020140912	211270171	/nfs/dbraw/zinc/27/01/71/211270171.db2.gz	IOGLJRBPSOKHKR-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
Cc1ccccc1[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000020104157	211269067	/nfs/dbraw/zinc/26/90/67/211269067.db2.gz	AKNWLHFPNKHQLS-QFIPXVFZSA-N	0	0	360.413	4.352	40	5		FIBBRN
CCOc1ccccc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013668721	211047642	/nfs/dbraw/zinc/04/76/42/211047642.db2.gz	INWMHHXINVRJLU-UHFFFAOYSA-N	0	0	362.813	4.010	40	5		FIBBRN
O=[N+]([O-])c1ccc(/C=C/c2nn3c(nnc3-c3cccc(F)c3)s2)cc1	ZINC000010311630	210868686	/nfs/dbraw/zinc/86/86/86/210868686.db2.gz	UMGQMTKYXKHTCG-RMKNXTFCSA-N	0	0	367.365	4.071	40	5		FIBBRN
CCOC(=O)Cc1c2ccccc2c2ccccc2c1CC(=O)OCC	ZINC000001715442	210368168	/nfs/dbraw/zinc/36/81/68/210368168.db2.gz	MALCZXVGXXBQHX-UHFFFAOYSA-N	0	0	350.414	4.204	40	5		FIBBRN
O=C(Oc1c([N+](=O)[O-])cc(-c2ccccc2)cc1[N+](=O)[O-])c1ccccc1	ZINC000001621485	210362180	/nfs/dbraw/zinc/36/21/80/210362180.db2.gz	DQOCTWYFFVSAOT-UHFFFAOYSA-N	0	0	364.313	4.389	40	5		FIBBRN
CCC[C@@H](c1cc(OC)ccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1	ZINC000001083957	210314746	/nfs/dbraw/zinc/31/47/46/210314746.db2.gz	RQQXSAXYKZZOEL-SFHVURJKSA-N	0	0	363.435	4.227	40	5		FIBBRN
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000006263862	263344282	/nfs/dbraw/zinc/34/42/82/263344282.db2.gz	PPRMVIVEZHZUNK-UHFFFAOYSA-N	0	0	361.785	4.239	40	5		FIBBRN
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000021125705	263383481	/nfs/dbraw/zinc/38/34/81/263383481.db2.gz	VWQOZAHDLUPRCE-SECBINFHSA-N	0	0	355.177	4.308	40	5		FIBBRN
O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(F)cc1	ZINC000072229338	570535196	/nfs/dbraw/zinc/53/51/96/570535196.db2.gz	RIVZTNOBRWIMQK-UHFFFAOYSA-N	0	0	363.776	4.240	40	5		FIBBRN
CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	ZINC000408564122	570568181	/nfs/dbraw/zinc/56/81/81/570568181.db2.gz	XYCYNWSGZJUYEM-VXPUYCOJSA-N	0	0	367.430	4.194	40	5		FIBBRN
CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OCC	ZINC000408569590	570568322	/nfs/dbraw/zinc/56/83/22/570568322.db2.gz	JSRJIAUATIOTFY-QGZVFWFLSA-N	0	0	354.406	4.374	40	5		FIBBRN
O=C(Sc1nnc(-c2ccccc2Cl)o1)c1cccc([N+](=O)[O-])c1	ZINC000408585863	570569433	/nfs/dbraw/zinc/56/94/33/570569433.db2.gz	JORFEEXRIRLKJN-UHFFFAOYSA-N	0	0	361.766	4.231	40	5		FIBBRN
O=C(Nc1cccc(O)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000408620115	570570199	/nfs/dbraw/zinc/57/01/99/570570199.db2.gz	KKVLAUDCTDLKEA-UHFFFAOYSA-N	0	0	358.737	4.466	40	5		FIBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cc(C)c2ccccc2n1	ZINC000004126208	570664561	/nfs/dbraw/zinc/66/45/61/570664561.db2.gz	GXHWXPQXCWLYKC-UHFFFAOYSA-N	0	0	367.430	4.491	40	5		FIBBRN
CCOc1ccc(-n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409102251	570724888	/nfs/dbraw/zinc/72/48/88/570724888.db2.gz	YEUKMJDMPCBDIY-UHFFFAOYSA-N	0	0	370.434	4.175	40	5		FIBBRN
O=C(Nc1ccc(Br)cc1Cl)c1ccccc1[N+](=O)[O-]	ZINC000014258398	570846551	/nfs/dbraw/zinc/84/65/51/570846551.db2.gz	KJOLBWKDKBPYKV-UHFFFAOYSA-N	0	0	355.575	4.263	40	5		FIBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1	ZINC000106681966	570893158	/nfs/dbraw/zinc/89/31/58/570893158.db2.gz	JGBZRYUJRGERMF-DHDCSXOGSA-N	0	0	374.805	4.485	40	5		FIBBRN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c3ccccc3c2c1	ZINC000044781953	570899514	/nfs/dbraw/zinc/89/95/14/570899514.db2.gz	PGYRHINUHKOHGE-UHFFFAOYSA-N	0	0	361.357	4.247	40	5		FIBBRN
CN(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000044903593	570902358	/nfs/dbraw/zinc/90/23/58/570902358.db2.gz	ZRTZRDHYZDAIJF-UHFFFAOYSA-N	0	0	364.854	4.140	40	5		FIBBRN
O=C(Nc1ccccc1NC(=O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000006258699	571168212	/nfs/dbraw/zinc/16/82/12/571168212.db2.gz	WOPZTZYZAJDSFC-UHFFFAOYSA-N	0	0	367.405	4.366	40	5		FIBBRN
CC(C)(C)C(=O)Sc1nc2cc([N+](=O)[O-])ccc2n1C(=O)C(C)(C)C	ZINC000006022798	571170843	/nfs/dbraw/zinc/17/08/43/571170843.db2.gz	FJFZBDXTVMIZNG-UHFFFAOYSA-N	0	0	363.439	4.296	40	5		FIBBRN
O=Cc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1	ZINC000035668620	571184488	/nfs/dbraw/zinc/18/44/88/571184488.db2.gz	SKUKXSFRXVMWJD-UHFFFAOYSA-N	0	0	357.105	4.415	40	5		FIBBRN
CCCCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC	ZINC000224442734	571205077	/nfs/dbraw/zinc/20/50/77/571205077.db2.gz	MGEGKAWNLORJGW-UHFFFAOYSA-N	0	0	372.421	4.481	40	5		FIBBRN
Cc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1[N+](=O)[O-]	ZINC000225132951	571294778	/nfs/dbraw/zinc/29/47/78/571294778.db2.gz	PXXVKZWYAUPHAM-UHFFFAOYSA-N	0	0	371.418	4.113	40	5		FIBBRN
O=C(NCCSCc1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000010280104	571321440	/nfs/dbraw/zinc/32/14/40/571321440.db2.gz	LTYPOPWQMNEFEA-UHFFFAOYSA-N	0	0	368.817	4.051	40	5		FIBBRN
CN(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1Br	ZINC000216877982	571343370	/nfs/dbraw/zinc/34/33/70/571343370.db2.gz	NFMHXUPGZGMWLX-UHFFFAOYSA-N	0	0	362.183	4.232	40	5		FIBBRN
C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000003602891	571351518	/nfs/dbraw/zinc/35/15/18/571351518.db2.gz	ARZHCIUZXQMDGN-VIFPVBQESA-N	0	0	355.177	4.308	40	5		FIBBRN
Cn1c(SCc2c[nH]c3cc([N+](=O)[O-])ccc23)nnc1-c1ccccc1	ZINC000059459170	571357266	/nfs/dbraw/zinc/35/72/66/571357266.db2.gz	XHXJARLHZYMFEG-UHFFFAOYSA-N	0	0	365.418	4.164	40	5		FIBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Br)cc1	ZINC000045888845	210189704	/nfs/dbraw/zinc/18/97/04/210189704.db2.gz	JQISBWDYYLXTEB-UHFFFAOYSA-N	0	0	363.211	4.480	40	5		FIBBRN
O=[N+]([O-])c1cc(F)ccc1Nc1cc(Cl)nc(-c2ccc(F)cc2)n1	ZINC000328977878	210128010	/nfs/dbraw/zinc/12/80/10/210128010.db2.gz	FWQFHAXOCNQXDF-UHFFFAOYSA-N	0	0	362.723	4.149	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Cl)cc1	ZINC000001910454	210075814	/nfs/dbraw/zinc/07/58/14/210075814.db2.gz	DZQZSIOWGFYTJP-UHFFFAOYSA-N	0	0	364.785	4.055	40	5		FIBBRN
Cc1nc2sccn2c1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000000888708	219337053	/nfs/dbraw/zinc/33/70/53/219337053.db2.gz	NQGCSOPKCSNIPV-UHFFFAOYSA-N	0	0	357.420	4.480	40	5		FIBBRN
O=[N+]([O-])c1ccc(C2=NNC(c3cccs3)=Nc3ccc(F)cc32)cc1	ZINC000004129817	219545904	/nfs/dbraw/zinc/54/59/04/219545904.db2.gz	XAMWYWJJOBHTSC-UHFFFAOYSA-N	0	0	366.377	4.229	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ncc(-c2ccccc2)o1	ZINC000014207168	211085209	/nfs/dbraw/zinc/08/52/09/211085209.db2.gz	FKLOOPXLKSDLRK-UHFFFAOYSA-N	0	0	351.362	4.130	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1	ZINC000013708481	211050504	/nfs/dbraw/zinc/05/05/04/211050504.db2.gz	LLHQOBOZDDRIFJ-CYBMUJFWSA-N	0	0	366.373	4.163	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc2ccccc21	ZINC000013709312	211050519	/nfs/dbraw/zinc/05/05/19/211050519.db2.gz	RAQGGINXPUKLGC-CQSZACIVSA-N	0	0	350.374	4.462	40	5		FIBBRN
Cc1c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cccc1[N+](=O)[O-]	ZINC000013708570	211050981	/nfs/dbraw/zinc/05/09/81/211050981.db2.gz	LTFJSDOOOZLVGV-CQSZACIVSA-N	0	0	350.374	4.462	40	5		FIBBRN
O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000013546796	211039738	/nfs/dbraw/zinc/03/97/38/211039738.db2.gz	YOPWGTYYKXUUBU-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001671038	210365808	/nfs/dbraw/zinc/36/58/08/210365808.db2.gz	PEMVLYRORREEMT-UHFFFAOYSA-N	0	0	353.372	4.177	40	5		FIBBRN
O=C(Oc1cc([N+](=O)[O-])ccc1Cl)Oc1cc([N+](=O)[O-])ccc1Cl	ZINC000001576995	210360690	/nfs/dbraw/zinc/36/06/90/210360690.db2.gz	SSMAALJSGMNQHA-UHFFFAOYSA-N	0	0	373.104	4.388	40	5		FIBBRN
CC(C)c1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1	ZINC000002468601	132383639	/nfs/dbraw/zinc/38/36/39/132383639.db2.gz	KCVGXGWEXJYBTE-YLJYHZDGSA-N	0	0	367.405	4.488	40	5		FIBBRN
Cc1cccc(N2C(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@@H]3C)c1	ZINC000004193174	132386547	/nfs/dbraw/zinc/38/65/47/132386547.db2.gz	SXLTWBRODQBWCV-LWLIDHTLSA-N	0	0	369.446	4.084	40	5		FIBBRN
O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1	ZINC000072229095	136143780	/nfs/dbraw/zinc/14/37/80/136143780.db2.gz	AZTTURPNRAEMTP-UHFFFAOYSA-N	0	0	359.813	4.491	40	5		FIBBRN
O=[N+]([O-])c1ccc(Sc2ccc(Br)cc2)c2nonc21	ZINC000096933900	222142951	/nfs/dbraw/zinc/14/29/51/222142951.db2.gz	HQXGMDJUFJQNNY-UHFFFAOYSA-N	0	0	352.169	4.045	40	5		FIBBRN
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000006263870	263344382	/nfs/dbraw/zinc/34/43/82/263344382.db2.gz	POCPTTRUQCRZJM-UHFFFAOYSA-N	0	0	361.785	4.239	40	5		FIBBRN
COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl	ZINC000009141745	263359970	/nfs/dbraw/zinc/35/99/70/263359970.db2.gz	RHHUUNHPNXDSDH-UHFFFAOYSA-N	0	0	355.177	4.471	40	5		FIBBRN
CC1=CC(C)(C)Nc2ccc(OC(=O)Cc3ccc([N+](=O)[O-])cc3)cc21	ZINC000059428113	263419912	/nfs/dbraw/zinc/41/99/12/263419912.db2.gz	JIKZILXEBYZLQO-UHFFFAOYSA-N	0	0	352.390	4.350	40	5		FIBBRN
O=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	ZINC000408849884	263500603	/nfs/dbraw/zinc/50/06/03/263500603.db2.gz	AGEZXDZIINWANE-UHFFFAOYSA-N	0	0	370.586	4.402	40	5		FIBBRN
COc1ccc(N(C)C(=O)Nc2cc3cccnc3c3cccnc23)cc1	ZINC000408975532	263513075	/nfs/dbraw/zinc/51/30/75/263513075.db2.gz	MPFDKWHACLFVPP-UHFFFAOYSA-N	0	0	358.401	4.460	40	5		FIBBRN
CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O	ZINC000409063836	263521460	/nfs/dbraw/zinc/52/14/60/263521460.db2.gz	AHVVYDIWBURFNR-OQLLNIDSSA-N	0	0	358.375	4.219	40	5		FIBBRN
CCCOc1ccccc1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000218131071	520473743	/nfs/dbraw/zinc/47/37/43/520473743.db2.gz	FLIGNTLAEZXUBO-UHFFFAOYSA-N	0	0	356.422	4.055	40	5		FIBBRN
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1-c1ccc(CO)o1	ZINC000020141034	525252129	/nfs/dbraw/zinc/25/21/29/525252129.db2.gz	BXQHKVBECSLGOB-UHFFFAOYSA-N	0	0	366.373	4.216	40	5		FIBBRN
Cc1cccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1	ZINC000072229491	570535288	/nfs/dbraw/zinc/53/52/88/570535288.db2.gz	PTSNDZSVBFADGR-UHFFFAOYSA-N	0	0	355.177	4.228	40	5		FIBBRN
Cc1cc(C)c(NC(=O)CSc2nc3ccccc3o2)c([N+](=O)[O-])c1	ZINC000033607570	570568202	/nfs/dbraw/zinc/56/82/02/570568202.db2.gz	LAMAFZRBFDFPGN-UHFFFAOYSA-N	0	0	357.391	4.084	40	5		FIBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C)cc2)n1-c1ccc(F)cc1	ZINC000408571031	570568229	/nfs/dbraw/zinc/56/82/29/570568229.db2.gz	MXHIQVBZTOOBIZ-KRWDZBQOSA-N	0	0	372.425	4.133	40	5		FIBBRN
CC(C)Oc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	ZINC000408575851	570568839	/nfs/dbraw/zinc/56/88/39/570568839.db2.gz	LHBJMIPGXPINLS-UHFFFAOYSA-N	0	0	360.435	4.254	40	5		FIBBRN
O=Cc1ccc(Sc2nnc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000408602693	570569880	/nfs/dbraw/zinc/56/98/80/570569880.db2.gz	DFZCAIREUBKUCD-UHFFFAOYSA-N	0	0	361.766	4.262	40	5		FIBBRN
COc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-]	ZINC000408629307	570571443	/nfs/dbraw/zinc/57/14/43/570571443.db2.gz	WIGWMAKRHZRRPM-AWEZNQCLSA-N	0	0	369.421	4.235	40	5		FIBBRN
Cc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(C)c1-c1ccc(C)cc1	ZINC000409197001	570583649	/nfs/dbraw/zinc/58/36/49/570583649.db2.gz	ZKTTYBUZSRNUNB-VXPUYCOJSA-N	0	0	367.430	4.020	40	5		FIBBRN
O=[N+]([O-])c1ccc2[nH]c(SCc3ccc(O)c4ncccc34)nc2c1	ZINC000005635289	570682879	/nfs/dbraw/zinc/68/28/79/570682879.db2.gz	YXIQQCCJXYYDPA-UHFFFAOYSA-N	0	0	352.375	4.017	40	5		FIBBRN
O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccco1	ZINC000408846830	570691700	/nfs/dbraw/zinc/69/17/00/570691700.db2.gz	RLLMCLNNFUCTLK-YRNVUSSQSA-N	0	0	374.761	4.400	40	5		FIBBRN
O=C(NCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408915326	570699219	/nfs/dbraw/zinc/69/92/19/570699219.db2.gz	ZPWROVOTIUCZIS-RCCKNPSSSA-N	0	0	358.397	4.452	40	5		FIBBRN
O=Cc1ccc(-c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)o1	ZINC000409177093	570736045	/nfs/dbraw/zinc/73/60/45/570736045.db2.gz	AJAXJLNAZXGBDH-UHFFFAOYSA-N	0	0	351.314	4.024	40	5		FIBBRN
CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000005793702	571111669	/nfs/dbraw/zinc/11/16/69/571111669.db2.gz	KSHNKOMJWQKGDG-VZUCSPMQSA-N	0	0	356.378	4.044	40	5		FIBBRN
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)c(Cl)c1	ZINC000160306223	571121514	/nfs/dbraw/zinc/12/15/14/571121514.db2.gz	NFXPOBGEUILVFH-UHFFFAOYSA-N	0	0	358.206	4.027	40	5		FIBBRN
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000006221358	571167223	/nfs/dbraw/zinc/16/72/23/571167223.db2.gz	ORCBQCXZZLFCNZ-UHFFFAOYSA-N	0	0	356.121	4.062	40	5		FIBBRN
CCc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCC2)cc1	ZINC000006870968	571251852	/nfs/dbraw/zinc/25/18/52/571251852.db2.gz	MHQZQIOFTYMFKV-UHFFFAOYSA-N	0	0	365.433	4.429	40	5		FIBBRN
O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1	ZINC000007318973	571264167	/nfs/dbraw/zinc/26/41/67/571264167.db2.gz	LYALXKAQRPPPNI-UHFFFAOYSA-N	0	0	360.782	4.019	40	5		FIBBRN
Cc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	ZINC000007641927	571285207	/nfs/dbraw/zinc/28/52/07/571285207.db2.gz	AJJGGGUTNMLLQQ-UHFFFAOYSA-N	0	0	369.402	4.044	40	5		FIBBRN
O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000215026179	571293653	/nfs/dbraw/zinc/29/36/53/571293653.db2.gz	ISLJSFDZDSWKHA-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccs1	ZINC000006595926	571296804	/nfs/dbraw/zinc/29/68/04/571296804.db2.gz	ZKZSCVGZMXWAFS-SFHVURJKSA-N	0	0	367.382	4.437	40	5		FIBBRN
CCCn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1	ZINC000011972775	571303466	/nfs/dbraw/zinc/30/34/66/571303466.db2.gz	ZSMBJJZDDSXKFQ-UHFFFAOYSA-N	0	0	368.462	4.479	40	5		FIBBRN
CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1	ZINC000010113711	571321340	/nfs/dbraw/zinc/32/13/40/571321340.db2.gz	LGPSEIAJXLFOJW-UHFFFAOYSA-N	0	0	359.813	4.125	40	5		FIBBRN
O=[N+]([O-])c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccccc32)cc1	ZINC000004129795	571355769	/nfs/dbraw/zinc/35/57/69/571355769.db2.gz	JXDLROZWHJNPBO-UHFFFAOYSA-N	0	0	360.348	4.168	40	5		FIBBRN
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC1C2CC3CC(C2)CC1C3	ZINC000032118719	571355960	/nfs/dbraw/zinc/35/59/60/571355960.db2.gz	SITMWTBYKAFKMC-DUXPYHPUSA-N	0	0	360.841	4.202	40	5		FIBBRN
CCN(CC)c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccccc1	ZINC000059489901	571357454	/nfs/dbraw/zinc/35/74/54/571357454.db2.gz	ILNPAUFZJUPUHS-NRFANRHFSA-N	0	0	369.465	4.362	40	5		FIBBRN
CC(C)c1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000223747843	222792199	/nfs/dbraw/zinc/79/21/99/222792199.db2.gz	KQCSWCKOVOFKHC-UHFFFAOYSA-N	0	0	362.813	4.180	40	5		FIBBRN
O=C(Oc1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1	ZINC000001723486	219416934	/nfs/dbraw/zinc/41/69/34/219416934.db2.gz	NGPUTNYAAZWEAA-UHFFFAOYSA-N	0	0	363.325	4.033	40	5		FIBBRN
Cc1ccc(C)c2sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc21	ZINC000004331009	219566917	/nfs/dbraw/zinc/56/69/17/219566917.db2.gz	MYNURJCLNIQQCL-CMDGGOBGSA-N	0	0	353.403	4.473	40	5		FIBBRN
CCc1cc2ccccc2nc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004849224	219613203	/nfs/dbraw/zinc/61/32/03/219613203.db2.gz	FFXSMIZOYRQCDO-UHFFFAOYSA-N	0	0	367.430	4.436	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1	ZINC000013708483	220088331	/nfs/dbraw/zinc/08/83/31/220088331.db2.gz	LLHQOBOZDDRIFJ-ZDUSSCGKSA-N	0	0	366.373	4.163	40	5		FIBBRN
CCCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC	ZINC000015409028	220154163	/nfs/dbraw/zinc/15/41/63/220154163.db2.gz	ASHWEGWIGFXVKJ-UHFFFAOYSA-N	0	0	358.394	4.343	40	5		FIBBRN
C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)Oc1nonc1-c1ccccc1	ZINC000005354408	263340396	/nfs/dbraw/zinc/34/03/96/263340396.db2.gz	MHWSBFTWKNNKES-NSHDSACASA-N	0	0	374.784	4.178	40	5		FIBBRN
Cc1nc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Cl	ZINC000010119506	263363635	/nfs/dbraw/zinc/36/36/35/263363635.db2.gz	SQEPIVCBXSMBSC-UHFFFAOYSA-N	0	0	357.753	4.464	40	5		FIBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1-c1ccccc1	ZINC000408566343	263473621	/nfs/dbraw/zinc/47/36/21/263473621.db2.gz	FKBSHXTZTONYPK-MRXNPFEDSA-N	0	0	374.853	4.339	40	5		FIBBRN
CCc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1	ZINC000408571325	263473733	/nfs/dbraw/zinc/47/37/33/263473733.db2.gz	OINCJKUHOVEJTA-SFHVURJKSA-N	0	0	368.462	4.248	40	5		FIBBRN
CC(C)(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1	ZINC000329060285	526337015	/nfs/dbraw/zinc/33/70/15/526337015.db2.gz	WKVNFGRMJOWFOW-UHFFFAOYSA-N	0	0	355.320	4.358	40	5		FIBBRN
CCOc1ccc(Br)cc1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000014654405	570537688	/nfs/dbraw/zinc/53/76/88/570537688.db2.gz	VRVRLHVZHSOWQQ-UHFFFAOYSA-N	0	0	365.183	4.008	40	5		FIBBRN
Cc1noc(/C=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1[N+](=O)[O-]	ZINC000408541890	570567495	/nfs/dbraw/zinc/56/74/95/570567495.db2.gz	GKFIVIORVOMHEX-XBXARRHUSA-N	0	0	368.305	4.157	40	5		FIBBRN
CCOc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	ZINC000408619332	570570384	/nfs/dbraw/zinc/57/03/84/570570384.db2.gz	BETNUVYNFIEYNY-UHFFFAOYSA-N	0	0	369.402	4.369	40	5		FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl	ZINC000005067362	570580688	/nfs/dbraw/zinc/58/06/88/570580688.db2.gz	XPDKBYXIHXVCHA-ARJVPZMDSA-N	0	0	369.248	4.389	40	5		FIBBRN
CC(C)NC(=O)CSc1ncnc2c3cc4ccccc4nc3sc21	ZINC000035313194	570641818	/nfs/dbraw/zinc/64/18/18/570641818.db2.gz	FMGWBLSASSWMDG-UHFFFAOYSA-N	0	0	368.487	4.009	40	5		FIBBRN
Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1C	ZINC000006215706	570643310	/nfs/dbraw/zinc/64/33/10/570643310.db2.gz	QDAZVMZXGXSKBR-UHFFFAOYSA-N	0	0	350.168	4.193	40	5		FIBBRN
O=C1NC(=O)c2c1c1c([nH]c3cccc(F)c31)c1[nH]c3cccc(F)c3c12	ZINC000006567262	570649362	/nfs/dbraw/zinc/64/93/62/570649362.db2.gz	UCDMJWFKNYERGM-UHFFFAOYSA-N	0	0	361.307	4.117	40	5		FIBBRN
O=C1Nc2ccccc2S/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	ZINC000409097905	570723671	/nfs/dbraw/zinc/72/36/71/570723671.db2.gz	NWOFWBOXNRYAFV-PDGQHHTCSA-N	0	0	363.398	4.471	40	5		FIBBRN
CCn1c2ccccc2nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000004484385	570796792	/nfs/dbraw/zinc/79/67/92/570796792.db2.gz	KQHTURLYWBXNGS-UHFFFAOYSA-N	0	0	370.434	4.004	40	5		FIBBRN
CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1	ZINC000038771442	571050527	/nfs/dbraw/zinc/05/05/27/571050527.db2.gz	RCFIHCXFBRITDU-GOSISDBHSA-N	0	0	374.462	4.104	40	5		FIBBRN
O=[N+]([O-])c1ccc2oc(-c3cccc(I)c3)nc2c1	ZINC000073642132	571109695	/nfs/dbraw/zinc/10/96/95/571109695.db2.gz	CUZZTSLSZJGJCC-UHFFFAOYSA-N	0	0	366.114	4.008	40	5		FIBBRN
O=C(COc1ccc2c(c1)CCCC2)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000222857168	571164851	/nfs/dbraw/zinc/16/48/51/571164851.db2.gz	NHSWUNVYYVXBEA-UHFFFAOYSA-N	0	0	360.797	4.145	40	5		FIBBRN
Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000006275266	571169221	/nfs/dbraw/zinc/16/92/21/571169221.db2.gz	NQRLAQWQOKCCRO-UHFFFAOYSA-N	0	0	359.432	4.244	40	5		FIBBRN
CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000001903685	571199286	/nfs/dbraw/zinc/19/92/86/571199286.db2.gz	AKABRFAGLMGSPF-KPKJPENVSA-N	0	0	368.389	4.204	40	5		FIBBRN
COc1ccc(Cl)cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000007093585	571260814	/nfs/dbraw/zinc/26/08/14/571260814.db2.gz	XPJOLERFOZNVBV-UHFFFAOYSA-N	0	0	366.826	4.129	40	5		FIBBRN
O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Cl	ZINC000214092204	571292611	/nfs/dbraw/zinc/29/26/11/571292611.db2.gz	WATAOUGRTTXFGY-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
CCCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000006274211	571295603	/nfs/dbraw/zinc/29/56/03/571295603.db2.gz	PHDDJTCCEPXACD-UHFFFAOYSA-N	0	0	364.785	4.298	40	5		FIBBRN
O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000006595668	571296873	/nfs/dbraw/zinc/29/68/73/571296873.db2.gz	KBFZCSNXVMZEDS-HXUWFJFHSA-N	0	0	361.353	4.376	40	5		FIBBRN
COC(=O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCCO[C@@H]21	ZINC000006950751	571297599	/nfs/dbraw/zinc/29/75/99/571297599.db2.gz	RMGHXMLAAMGEHL-DKSSEZFCSA-N	0	0	368.389	4.016	40	5		FIBBRN
COc1cccc2c1N(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C=C2C	ZINC000010157739	571321328	/nfs/dbraw/zinc/32/13/28/571321328.db2.gz	JGRABHGXCNLAQM-UHFFFAOYSA-N	0	0	352.390	4.446	40	5		FIBBRN
C[C@H]1CCCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)C1	ZINC000010541065	571321533	/nfs/dbraw/zinc/32/15/33/571321533.db2.gz	CJTPTZPIKWIPQX-RZKQZQCBSA-N	0	0	350.418	4.394	40	5		FIBBRN
COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C)n1	ZINC000225865816	571338865	/nfs/dbraw/zinc/33/88/65/571338865.db2.gz	DWWQIHSNFRFOHW-UHFFFAOYSA-N	0	0	369.421	4.147	40	5		FIBBRN
Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC(C)(C)O2	ZINC000217895203	571351411	/nfs/dbraw/zinc/35/14/11/571351411.db2.gz	OBXHELXQTSVZEH-DBEXCURXSA-N	0	0	366.417	4.335	40	5		FIBBRN
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCOc1ccccc1	ZINC000059484718	571357391	/nfs/dbraw/zinc/35/73/91/571357391.db2.gz	NMPNWCPNVVTBNK-UHFFFAOYSA-N	0	0	371.271	4.013	40	5		FIBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000217895405	222674362	/nfs/dbraw/zinc/67/43/62/222674362.db2.gz	SWNDISNDKOZOKI-DBEXCURXSA-N	0	0	366.417	4.335	40	5		FIBBRN
CC1(C)C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2O1	ZINC000217894238	222674597	/nfs/dbraw/zinc/67/45/97/222674597.db2.gz	BGANJKFILKYHQI-XLNAKTSKSA-N	0	0	352.390	4.027	40	5		FIBBRN
CCC1(CC)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1	ZINC000225265706	222832987	/nfs/dbraw/zinc/83/29/87/222832987.db2.gz	GTKDLUJXIYKVKQ-QGZVFWFLSA-N	0	0	354.406	4.407	40	5		FIBBRN
CCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C	ZINC000225860018	222876410	/nfs/dbraw/zinc/87/64/10/222876410.db2.gz	MLCYNUYCPUXHEX-UHFFFAOYSA-N	0	0	369.421	4.147	40	5		FIBBRN
CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O	ZINC000005552315	219688210	/nfs/dbraw/zinc/68/82/10/219688210.db2.gz	RQBJVGCXBZGJMV-OQLLNIDSSA-N	0	0	358.375	4.219	40	5		FIBBRN
Cc1c(Nc2cc(Cl)nc(-c3cccc(F)c3)n2)cccc1[N+](=O)[O-]	ZINC000329069757	223132702	/nfs/dbraw/zinc/13/27/02/223132702.db2.gz	ZAOSADBSEDUBRY-UHFFFAOYSA-N	0	0	358.760	4.318	40	5		FIBBRN
Cc1ccccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000013546628	220072072	/nfs/dbraw/zinc/07/20/72/220072072.db2.gz	LXLUBPKHGJOCSG-YBEGLDIGSA-N	0	0	354.387	4.140	40	5		FIBBRN
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc([N+](=O)[O-])c1	ZINC000014206894	220116806	/nfs/dbraw/zinc/11/68/06/220116806.db2.gz	VBQXEPMQNCNHLI-UHFFFAOYSA-N	0	0	371.780	4.475	40	5		FIBBRN
Nc1nc(N)c(-c2ccc(Cl)cc2)c(/C=C\c2ccc([N+](=O)[O-])cc2)n1	ZINC000017418887	220215532	/nfs/dbraw/zinc/21/55/32/220215532.db2.gz	VOCVPDMLBGGHDW-KMKOMSMNSA-N	0	0	367.796	4.040	40	5		FIBBRN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl	ZINC000059328941	221125446	/nfs/dbraw/zinc/12/54/46/221125446.db2.gz	JSKJZFDLILEXTE-UHFFFAOYSA-N	0	0	369.602	4.192	40	5		FIBBRN
Cc1cc(C)c(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c(Cl)c1	ZINC000072228857	221452118	/nfs/dbraw/zinc/45/21/18/221452118.db2.gz	ZFBSAVJABIASQL-UHFFFAOYSA-N	0	0	362.813	4.499	40	5		FIBBRN
C[C@]12C[C@H](NC(=O)N1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O2	ZINC000002601945	132383734	/nfs/dbraw/zinc/38/37/34/132383734.db2.gz	JAEKJKKECDNXAW-YOEHRIQHSA-N	0	0	359.769	4.018	40	5		FIBBRN
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]	ZINC000020529085	263381646	/nfs/dbraw/zinc/38/16/46/263381646.db2.gz	CKEKFQJBJNLUHW-UHFFFAOYSA-N	0	0	373.365	4.061	40	5		FIBBRN
O=[N+]([O-])c1ccc([C@@H]2N(c3ccc([N+](=O)[O-])cc3)C2(Cl)Cl)cc1	ZINC000039475063	263399029	/nfs/dbraw/zinc/39/90/29/263399029.db2.gz	UWTIQVJLXDSYLU-CWQZNGJJSA-N	0	0	354.149	4.196	40	5		FIBBRN
Cc1ccccc1CSCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408574061	263474338	/nfs/dbraw/zinc/47/43/38/263474338.db2.gz	HZUWHBYMGPDVBW-UHFFFAOYSA-N	0	0	364.854	4.220	40	5		FIBBRN
COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCCC[C@H]23)cc1	ZINC000409190604	263539051	/nfs/dbraw/zinc/53/90/51/263539051.db2.gz	SQCRCRKKASPVDP-AYOQOUSVSA-N	0	0	368.389	4.016	40	5		FIBBRN
Cc1cc(-c2ccccc2)nc(Sc2ccc([N+](=O)[O-])cc2C=O)n1	ZINC000409386707	263555093	/nfs/dbraw/zinc/55/50/93/263555093.db2.gz	WVHFCHXGWUTPRJ-UHFFFAOYSA-N	0	0	351.387	4.324	40	5		FIBBRN
CCc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000020197077	523953267	/nfs/dbraw/zinc/95/32/67/523953267.db2.gz	PBBYEOAHHQPPFI-UHFFFAOYSA-N	0	0	355.419	4.423	40	5		FIBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2ccccc21	ZINC000020050959	527024849	/nfs/dbraw/zinc/02/48/49/527024849.db2.gz	ZUAZZENUJLIRKY-GOSISDBHSA-N	0	0	356.447	4.022	40	5		FIBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2)n1-c1ccc(Cl)cc1	ZINC000408571897	570568792	/nfs/dbraw/zinc/56/87/92/570568792.db2.gz	PUOLHFDYMJQKLM-INIZCTEOSA-N	0	0	374.853	4.339	40	5		FIBBRN
O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000408628243	570570611	/nfs/dbraw/zinc/57/06/11/570570611.db2.gz	RIDLZSXLAROMGI-UHFFFAOYSA-N	0	0	373.368	4.333	40	5		FIBBRN
CC1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1	ZINC000408922568	570577474	/nfs/dbraw/zinc/57/74/74/570577474.db2.gz	OYGRXKSTGOGQCT-HMMYKYKNSA-N	0	0	350.418	4.394	40	5		FIBBRN
CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Cl)c1OC	ZINC000408619561	570584060	/nfs/dbraw/zinc/58/40/60/570584060.db2.gz	JAQSXFRMZYNHOY-UHFFFAOYSA-N	0	0	364.785	4.216	40	5		FIBBRN
Cc1ccc(C2=Nc3ccc(F)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1	ZINC000004129814	570664588	/nfs/dbraw/zinc/66/45/88/570664588.db2.gz	BDUNACNBLMZZFL-UHFFFAOYSA-N	0	0	374.375	4.476	40	5		FIBBRN
O=C(Cc1ccc([N+](=O)[O-])cc1)Sc1nc2cc3ccccc3cc2[nH]1	ZINC000409390373	570755777	/nfs/dbraw/zinc/75/57/77/570755777.db2.gz	CRRLZIVNZPXBAT-UHFFFAOYSA-N	0	0	363.398	4.486	40	5		FIBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000001704541	571165894	/nfs/dbraw/zinc/16/58/94/571165894.db2.gz	WURZKJPCKRYJBQ-UHFFFAOYSA-N	0	0	366.236	4.473	40	5		FIBBRN
CCCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	ZINC000001934586	571202442	/nfs/dbraw/zinc/20/24/42/571202442.db2.gz	OMJMCPHGCSLERV-CSKARUKUSA-N	0	0	356.378	4.044	40	5		FIBBRN
Cc1nc(SCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc12	ZINC000006527700	571207097	/nfs/dbraw/zinc/20/70/97/571207097.db2.gz	GWBKVHLOIORLJZ-UHFFFAOYSA-N	0	0	373.821	4.475	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1cccc(Cl)c1	ZINC000015410535	571212128	/nfs/dbraw/zinc/21/21/28/571212128.db2.gz	OUFBVFZGPHXROM-UHFFFAOYSA-N	0	0	350.827	4.429	40	5		FIBBRN
CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224779179	571280068	/nfs/dbraw/zinc/28/00/68/571280068.db2.gz	RGBLXGKUUDGFKJ-UHFFFAOYSA-N	0	0	368.842	4.080	40	5		FIBBRN
CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000006243190	571295559	/nfs/dbraw/zinc/29/55/59/571295559.db2.gz	OKNGDPMZDQTMGO-GFCCVEGCSA-N	0	0	357.435	4.235	40	5		FIBBRN
COc1ccc(N(C)C(=O)Nc2cc3cccnc3c3ncccc23)cc1	ZINC000006356984	571296300	/nfs/dbraw/zinc/29/63/00/571296300.db2.gz	LKEYUWDCXSWCDW-UHFFFAOYSA-N	0	0	358.401	4.460	40	5		FIBBRN
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cc2ccccc2o1	ZINC000009062507	571302371	/nfs/dbraw/zinc/30/23/71/571302371.db2.gz	BORXKPIFLGGWQV-UHFFFAOYSA-N	0	0	366.358	4.112	40	5		FIBBRN
S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CCCCC1	ZINC000104755096	571306827	/nfs/dbraw/zinc/30/68/27/571306827.db2.gz	PHRQRBGTFMKBSS-UHFFFAOYSA-N	0	0	362.458	4.414	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(C(C)(C)C)cc1	ZINC000010335514	571321396	/nfs/dbraw/zinc/32/13/96/571321396.db2.gz	XNTZUFYZQATTEJ-UHFFFAOYSA-N	0	0	356.422	4.472	40	5		FIBBRN
O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020141140	571328070	/nfs/dbraw/zinc/32/80/70/571328070.db2.gz	IMJFKVMCFMPKEO-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003560941	571351085	/nfs/dbraw/zinc/35/10/85/571351085.db2.gz	NLMMUPLRKOHSPA-UHFFFAOYSA-N	0	0	360.675	4.399	40	5		FIBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000218132044	222677662	/nfs/dbraw/zinc/67/76/62/222677662.db2.gz	FMIDABVWYLDALA-INIZCTEOSA-N	0	0	354.406	4.244	40	5		FIBBRN
Cc1ccc(-c2nnc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)s2)cc1	ZINC000222576198	222740448	/nfs/dbraw/zinc/74/04/48/222740448.db2.gz	XMGPLFJWSKCXSD-JXMROGBWSA-N	0	0	366.402	4.074	40	5		FIBBRN
CCC[C@H](c1cc(OC)ccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1	ZINC000001083958	219367137	/nfs/dbraw/zinc/36/71/37/219367137.db2.gz	RQQXSAXYKZZOEL-GOSISDBHSA-N	0	0	363.435	4.227	40	5		FIBBRN
CCn1c2ccccc2nc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000015410180	220153919	/nfs/dbraw/zinc/15/39/19/220153919.db2.gz	DXBHYBGOEKTTKY-UHFFFAOYSA-N	0	0	370.434	4.004	40	5		FIBBRN
CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000022525284	220390152	/nfs/dbraw/zinc/39/01/52/220390152.db2.gz	XSVJRCVYHXIYAS-CQSZACIVSA-N	0	0	374.462	4.104	40	5		FIBBRN
Cc1cccc(N2C(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4O[C@]2(C)[C@@H]3C)c1	ZINC000004193171	132386525	/nfs/dbraw/zinc/38/65/25/132386525.db2.gz	SXLTWBRODQBWCV-QHLBDZCJSA-N	0	0	369.446	4.084	40	5		FIBBRN
CC(=O)c1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)c([N+](=O)[O-])c1	ZINC000007983425	132842089	/nfs/dbraw/zinc/84/20/89/132842089.db2.gz	SHXNHJGRKNYCOR-UHFFFAOYSA-N	0	0	373.840	4.086	40	5		FIBBRN
C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)Oc1nonc1-c1ccccc1	ZINC000005357307	263340461	/nfs/dbraw/zinc/34/04/61/263340461.db2.gz	MHWSBFTWKNNKES-LLVKDONJSA-N	0	0	374.784	4.178	40	5		FIBBRN
CC(C)COc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000017076076	263372285	/nfs/dbraw/zinc/37/22/85/263372285.db2.gz	WEYHUYKOYSMEMM-UHFFFAOYSA-N	0	0	371.418	4.492	40	5		FIBBRN
CCN(CC)c1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1	ZINC000408966773	263510353	/nfs/dbraw/zinc/51/03/53/263510353.db2.gz	NZHJLQXDEVAOOS-UHFFFAOYSA-N	0	0	353.378	4.440	40	5		FIBBRN
CC(C)c1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000020495965	519833971	/nfs/dbraw/zinc/83/39/71/519833971.db2.gz	FKQWMGSTRKAYGM-UHFFFAOYSA-N	0	0	352.350	4.021	40	5		FIBBRN
CCOc1ccccc1-c1nnc(Sc2ccc(C=O)cc2[N+](=O)[O-])o1	ZINC000408527584	570565538	/nfs/dbraw/zinc/56/55/38/570565538.db2.gz	OYUIMDJZALIUKI-UHFFFAOYSA-N	0	0	371.374	4.007	40	5		FIBBRN
Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn2)cc1	ZINC000408531467	570567092	/nfs/dbraw/zinc/56/70/92/570567092.db2.gz	UBDRSXPMAJLFSM-UHFFFAOYSA-N	0	0	369.764	4.233	40	5		FIBBRN
COc1ccc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000408541403	570567716	/nfs/dbraw/zinc/56/77/16/570567716.db2.gz	CNNOLTMYJCGFGZ-YVMONPNESA-N	0	0	371.305	4.238	40	5		FIBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)n1-c1cccc(C)c1	ZINC000408572117	570568690	/nfs/dbraw/zinc/56/86/90/570568690.db2.gz	QRBCIZDTLVPXTH-KRWDZBQOSA-N	0	0	372.425	4.133	40	5		FIBBRN
CCOc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1	ZINC000408607214	570570393	/nfs/dbraw/zinc/57/03/93/570570393.db2.gz	JXHOGXPDLMHMFF-UHFFFAOYSA-N	0	0	351.200	4.368	40	5		FIBBRN
CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000005126975	570586606	/nfs/dbraw/zinc/58/66/06/570586606.db2.gz	SAVDBCWDKMUCCC-UHFFFAOYSA-N	0	0	354.815	4.172	40	5		FIBBRN
O=C(NCCOc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl	ZINC000005876626	570637575	/nfs/dbraw/zinc/63/75/75/570637575.db2.gz	VCUCXYJKHDGXQA-UHFFFAOYSA-N	0	0	370.792	4.210	40	5		FIBBRN
CCCNC(=O)CSc1ncnc2c3cc4ccccc4nc3sc21	ZINC000035313356	570641774	/nfs/dbraw/zinc/64/17/74/570641774.db2.gz	MJIWZSQJNNNNKO-UHFFFAOYSA-N	0	0	368.487	4.011	40	5		FIBBRN
COc1ccccc1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000004713455	570671014	/nfs/dbraw/zinc/67/10/14/570671014.db2.gz	MADFMRMMYYGVIG-UHFFFAOYSA-N	0	0	357.244	4.274	40	5		FIBBRN
O=c1[nH]c(-c2ccc(Br)cc2)cc2c3ccccc3oc(=O)c12	ZINC000408718073	570672527	/nfs/dbraw/zinc/67/25/27/570672527.db2.gz	HFSIFJNCXXJECY-UHFFFAOYSA-N	0	0	368.186	4.476	40	5		FIBBRN
O=C(/N=c1/oc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Cl)cc1	ZINC000005579835	570676587	/nfs/dbraw/zinc/67/65/87/570676587.db2.gz	GVQPXPAOYCHUKZ-VLGSPTGOSA-N	0	0	360.778	4.311	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl	ZINC000016101621	570701532	/nfs/dbraw/zinc/70/15/32/570701532.db2.gz	DCDIFIPNCYSJNR-UHFFFAOYSA-N	0	0	361.206	4.011	40	5		FIBBRN
O=C(Nc1ccc2ccccc2c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	ZINC000004537820	570819671	/nfs/dbraw/zinc/81/96/71/570819671.db2.gz	YUCYBPXULNURIQ-UHFFFAOYSA-N	0	0	360.325	4.107	40	5		FIBBRN
COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000044886258	570902368	/nfs/dbraw/zinc/90/23/68/570902368.db2.gz	MHBCDMNOPOXMIN-GOSISDBHSA-N	0	0	356.422	4.429	40	5		FIBBRN
O=C(CSCc1ccc(Cl)cc1F)Nc1cccc([N+](=O)[O-])c1	ZINC000223222286	571060112	/nfs/dbraw/zinc/06/01/12/571060112.db2.gz	RHAPXNFWWSVQNS-UHFFFAOYSA-N	0	0	354.790	4.259	40	5		FIBBRN
Cc1ccc(OCc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)cc1C	ZINC000040169695	571089377	/nfs/dbraw/zinc/08/93/77/571089377.db2.gz	CBIZJRFGZUGXLN-UHFFFAOYSA-N	0	0	358.785	4.229	40	5		FIBBRN
CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCCC2)cc1	ZINC000013646934	571108952	/nfs/dbraw/zinc/10/89/52/571108952.db2.gz	YIVOMPYYYXNKCZ-UHFFFAOYSA-N	0	0	359.813	4.125	40	5		FIBBRN
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)c1	ZINC000001716367	571166351	/nfs/dbraw/zinc/16/63/51/571166351.db2.gz	XKBLUPDDBOYCJM-UHFFFAOYSA-N	0	0	355.371	4.030	40	5		FIBBRN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1	ZINC000223985742	571166398	/nfs/dbraw/zinc/16/63/98/571166398.db2.gz	ZGIMDZSULQKSER-UHFFFAOYSA-N	0	0	368.370	4.295	40	5		FIBBRN
Cc1ccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl	ZINC000224116328	571192558	/nfs/dbraw/zinc/19/25/58/571192558.db2.gz	WUTVFZWSFRWEOG-UHFFFAOYSA-N	0	0	369.204	4.019	40	5		FIBBRN
CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000224416606	571203102	/nfs/dbraw/zinc/20/31/02/571203102.db2.gz	AUCUTTRKKSMYPZ-IBGZPJMESA-N	0	0	354.406	4.270	40	5		FIBBRN
COC(=O)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO[C@@H]21	ZINC000006950742	571297549	/nfs/dbraw/zinc/29/75/49/571297549.db2.gz	SESGWGMTKFMFLC-DKSSEZFCSA-N	0	0	368.389	4.016	40	5		FIBBRN
O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000008471193	571301453	/nfs/dbraw/zinc/30/14/53/571301453.db2.gz	ABYKLLPGCSCJHP-RCCQNZRSSA-N	0	0	372.380	4.043	40	5		FIBBRN
CC(C)(C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C2CC2)n1	ZINC000328962497	571326496	/nfs/dbraw/zinc/32/64/96/571326496.db2.gz	BIHBHIOOVJHZCQ-UHFFFAOYSA-N	0	0	361.833	4.292	40	5		FIBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000217889185	571351432	/nfs/dbraw/zinc/35/14/32/571351432.db2.gz	QDSNJFYYUCVVTQ-XSFOEPMVSA-N	0	0	366.417	4.335	40	5		FIBBRN
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(Cl)cc1	ZINC000008179678	571359669	/nfs/dbraw/zinc/35/96/69/571359669.db2.gz	LARRMQAFTANDJS-QPEQYQDCSA-N	0	0	363.156	4.246	40	5		FIBBRN
CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1	ZINC000014205754	220117318	/nfs/dbraw/zinc/11/73/18/220117318.db2.gz	WWHGRLNPBPKYAR-UHFFFAOYSA-N	0	0	356.425	4.356	40	5		FIBBRN
O=c1[nH]c2cc(Br)ccc2c2ccc(Br)cc12	ZINC000017380296	220214789	/nfs/dbraw/zinc/21/47/89/220214789.db2.gz	YGNOBSNWUISURG-UHFFFAOYSA-N	0	0	353.013	4.206	40	5		FIBBRN
CCOC(=O)c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000020492502	220329093	/nfs/dbraw/zinc/32/90/93/220329093.db2.gz	SKBJKQCOTPEIBO-BJMVGYQFSA-N	0	0	374.780	4.077	40	5		FIBBRN
CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000020486622	220329458	/nfs/dbraw/zinc/32/94/58/220329458.db2.gz	PIJSVGKXZVCUDO-OAHLLOKOSA-N	0	0	352.749	4.183	40	5		FIBBRN
CCOC(=O)CSc1ncnc2c3cc4ccccc4nc3sc21	ZINC000035313217	220777636	/nfs/dbraw/zinc/77/76/36/220777636.db2.gz	CLEKVHRUKSAZMR-UHFFFAOYSA-N	0	0	355.444	4.048	40	5		FIBBRN
O=[N+]([O-])c1cc(Br)c(N2CCCCC2)c(Br)c1	ZINC000215787999	132270550	/nfs/dbraw/zinc/27/05/50/132270550.db2.gz	SVANIMFQRSYEIZ-UHFFFAOYSA-N	0	0	364.037	4.110	40	5		FIBBRN
CCCCOC(=O)c1cc(Cl)c(N2CCC(C)CC2)c([N+](=O)[O-])c1	ZINC000070462583	136138415	/nfs/dbraw/zinc/13/84/15/136138415.db2.gz	SVJMWJZVVBMLFT-UHFFFAOYSA-N	0	0	354.834	4.441	40	5		FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl	ZINC000102717901	222304810	/nfs/dbraw/zinc/30/48/10/222304810.db2.gz	XPDKBYXIHXVCHA-PFNKYVCDSA-N	0	0	369.248	4.389	40	5		FIBBRN
O=C(Nc1ccc(O)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000006883345	263347899	/nfs/dbraw/zinc/34/78/99/263347899.db2.gz	RZJXIWOBJAEVEZ-UHFFFAOYSA-N	0	0	358.737	4.466	40	5		FIBBRN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(Cl)(Cl)Cl	ZINC000408624761	263483127	/nfs/dbraw/zinc/48/31/27/263483127.db2.gz	ZTIZZBLDVOOAAX-UHFFFAOYSA-N	0	0	366.613	4.027	40	5		FIBBRN
CC(C)Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1	ZINC000409093732	263525847	/nfs/dbraw/zinc/52/58/47/263525847.db2.gz	BITZDWHOHUJSJL-UHFFFAOYSA-N	0	0	369.450	4.197	40	5		FIBBRN
COc1ccc(Nc2cc(Cl)nc(-c3cccc(F)c3)n2)c([N+](=O)[O-])c1	ZINC000328983717	534024392	/nfs/dbraw/zinc/02/43/92/534024392.db2.gz	HIZQIDAQROUELS-UHFFFAOYSA-N	0	0	374.759	4.018	40	5		FIBBRN
Cc1ccc(SC(=O)NCCOc2ccc(C)c(C)c2)c([N+](=O)[O-])c1	ZINC000019894532	525640982	/nfs/dbraw/zinc/64/09/82/525640982.db2.gz	KXSGBIPNSWVSMP-UHFFFAOYSA-N	0	0	360.435	4.401	40	5		FIBBRN
O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])cc1	ZINC000019927371	527050915	/nfs/dbraw/zinc/05/09/15/527050915.db2.gz	STCPMLDFISPCNH-UHFFFAOYSA-N	0	0	374.809	4.008	40	5		FIBBRN
CCOc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000014654544	570537599	/nfs/dbraw/zinc/53/75/99/570537599.db2.gz	PGGFKVFIRMRTIO-UHFFFAOYSA-N	0	0	365.183	4.008	40	5		FIBBRN
CCc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1	ZINC000408571323	570568712	/nfs/dbraw/zinc/56/87/12/570568712.db2.gz	OINCJKUHOVEJTA-GOSISDBHSA-N	0	0	368.462	4.248	40	5		FIBBRN
CCO[P@]1(=O)C=C(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)O1	ZINC000005840737	570636894	/nfs/dbraw/zinc/63/68/94/570636894.db2.gz	ZXXJUBCXDGHKFW-HSZRJFAPSA-N	0	0	374.311	4.475	40	5		FIBBRN
O=C(Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000005344414	570648178	/nfs/dbraw/zinc/64/81/78/570648178.db2.gz	JBWNUERPXNNKRS-UHFFFAOYSA-N	0	0	356.121	4.062	40	5		FIBBRN
O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1[nH]c3cc(F)ccc3c12	ZINC000006567266	570649250	/nfs/dbraw/zinc/64/92/50/570649250.db2.gz	ZJILYXVMTNATOV-UHFFFAOYSA-N	0	0	361.307	4.117	40	5		FIBBRN
COc1ccc(CN(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004907321	570673904	/nfs/dbraw/zinc/67/39/04/570673904.db2.gz	UPOYAXJJENVAHD-UHFFFAOYSA-N	0	0	362.385	4.450	40	5		FIBBRN
O=C(NCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408905849	570696993	/nfs/dbraw/zinc/69/69/93/570696993.db2.gz	ABOAQSROQXSNIA-RCCKNPSSSA-N	0	0	358.397	4.452	40	5		FIBBRN
O=C(Cc1ccccc1)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1	ZINC000408974684	570705455	/nfs/dbraw/zinc/70/54/55/570705455.db2.gz	GRWJCUJTLQGOMB-UHFFFAOYSA-N	0	0	353.381	4.412	40	5		FIBBRN
Cc1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(C)c(C)c1	ZINC000409098542	570723555	/nfs/dbraw/zinc/72/35/55/570723555.db2.gz	QOTMYFOECOTERZ-UHFFFAOYSA-N	0	0	354.435	4.393	40	5		FIBBRN
O=C1Nc2ccccc2S/C1=C\c1cccn1-c1cccc([N+](=O)[O-])c1	ZINC000409102803	570724688	/nfs/dbraw/zinc/72/46/88/570724688.db2.gz	UFLXGSXFHVDJCW-PDGQHHTCSA-N	0	0	363.398	4.471	40	5		FIBBRN
COc1ccc([C@H](CC(C)C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000044841375	570900305	/nfs/dbraw/zinc/90/03/05/570900305.db2.gz	LABJKJSNDKKNON-SFHVURJKSA-N	0	0	356.422	4.429	40	5		FIBBRN
O=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)o3)n[nH]2)ccc1Cl	ZINC000040169677	571089429	/nfs/dbraw/zinc/08/94/29/571089429.db2.gz	DAGLTAKYVCOELV-UHFFFAOYSA-N	0	0	369.562	4.056	40	5		FIBBRN
Cc1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	ZINC000040870243	571103557	/nfs/dbraw/zinc/10/35/57/571103557.db2.gz	CNOUVQDVDHQBBY-UHFFFAOYSA-N	0	0	369.402	4.044	40	5		FIBBRN
O=[N+]([O-])c1ccc2nc(-c3ccc(I)cc3)oc2c1	ZINC000073640044	571109428	/nfs/dbraw/zinc/10/94/28/571109428.db2.gz	RGLFUUUYRGMERI-UHFFFAOYSA-N	0	0	366.114	4.008	40	5		FIBBRN
CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000223439678	571121807	/nfs/dbraw/zinc/12/18/07/571121807.db2.gz	HNOJYLHSADYCAB-UHFFFAOYSA-N	0	0	372.855	4.079	40	5		FIBBRN
Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000222656313	571145637	/nfs/dbraw/zinc/14/56/37/571145637.db2.gz	RJRXUWXPQPSDQL-IZZDOVSWSA-N	0	0	366.402	4.074	40	5		FIBBRN
O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000001671052	571162844	/nfs/dbraw/zinc/16/28/44/571162844.db2.gz	GRXWAVJOPLXVHU-UHFFFAOYSA-N	0	0	357.105	4.029	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc2ccccc21	ZINC000006010572	571170609	/nfs/dbraw/zinc/17/06/09/571170609.db2.gz	KFVYGTTUMVLEDO-ZDUSSCGKSA-N	0	0	366.373	4.163	40	5		FIBBRN
Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]	ZINC000005417546	571271049	/nfs/dbraw/zinc/27/10/49/571271049.db2.gz	SZURFPUCROIXQA-UHFFFAOYSA-N	0	0	361.206	4.011	40	5		FIBBRN
CCCCC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000006396907	571296222	/nfs/dbraw/zinc/29/62/22/571296222.db2.gz	CNOMNVWPGQFNTG-UHFFFAOYSA-N	0	0	355.394	4.284	40	5		FIBBRN
Cc1ccccc1OCc1nnc(SCc2ccc([N+](=O)[O-])cc2)o1	ZINC000009198500	571321086	/nfs/dbraw/zinc/32/10/86/571321086.db2.gz	SUUITXCBUHZWMX-UHFFFAOYSA-N	0	0	357.391	4.158	40	5		FIBBRN
C[C@@H]1CCCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)C1	ZINC000010541063	571321549	/nfs/dbraw/zinc/32/15/49/571321549.db2.gz	CJTPTZPIKWIPQX-ZGPWBKFBSA-N	0	0	350.418	4.394	40	5		FIBBRN
O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000020140900	571328053	/nfs/dbraw/zinc/32/80/53/571328053.db2.gz	GUYMLHAWZSKIDB-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000020141070	571328057	/nfs/dbraw/zinc/32/80/57/571328057.db2.gz	ZSBWRECQFYXFLZ-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1[N+](=O)[O-]	ZINC000020140992	571328079	/nfs/dbraw/zinc/32/80/79/571328079.db2.gz	QSFIQYCZLTYOOB-UHFFFAOYSA-N	0	0	366.373	4.216	40	5		FIBBRN
Cc1c(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cccc1[N+](=O)[O-]	ZINC000225130076	222828434	/nfs/dbraw/zinc/82/84/34/222828434.db2.gz	ISZXAXQEIZDMEP-UHFFFAOYSA-N	0	0	371.418	4.113	40	5		FIBBRN
Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1[N+](=O)[O-]	ZINC000225130816	222828911	/nfs/dbraw/zinc/82/89/11/222828911.db2.gz	DPJQBTKJSLAUEY-UHFFFAOYSA-N	0	0	371.418	4.113	40	5		FIBBRN
O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000005569582	219689318	/nfs/dbraw/zinc/68/93/18/219689318.db2.gz	XCZLPBAFUCYSAX-UHFFFAOYSA-N	0	0	368.389	4.337	40	5		FIBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccs1	ZINC000005772906	219699280	/nfs/dbraw/zinc/69/92/80/219699280.db2.gz	BNIVGMYIALYWBP-UHFFFAOYSA-N	0	0	352.371	4.140	40	5		FIBBRN
Cc1c(Br)c([N+](=O)[O-])nn1Cc1c(Cl)cccc1Cl	ZINC000020294615	220320337	/nfs/dbraw/zinc/32/03/37/220320337.db2.gz	OLSBYVWPLNNSIT-UHFFFAOYSA-N	0	0	365.014	4.217	40	5		FIBBRN
COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000044841380	220961457	/nfs/dbraw/zinc/96/14/57/220961457.db2.gz	LABJKJSNDKKNON-GOSISDBHSA-N	0	0	356.422	4.429	40	5		FIBBRN
Nc1nc(-c2ccc(Br)cc2)cc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000071977570	221393234	/nfs/dbraw/zinc/39/32/34/221393234.db2.gz	MNPPDMYFEQOLQF-UHFFFAOYSA-N	0	0	371.194	4.064	40	5		FIBBRN
Cc1ccc(N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1	ZINC000219856569	132274997	/nfs/dbraw/zinc/27/49/97/132274997.db2.gz	UFUVFRWGYILOAE-UHFFFAOYSA-N	0	0	353.422	4.067	40	5		FIBBRN
O=c1cc(N2CCCCC2)c2c(=O)n(-c3ccccc3)c3ccccc3c2o1	ZINC000001581409	132382264	/nfs/dbraw/zinc/38/22/64/132382264.db2.gz	QPCIBQMPCWRYNX-UHFFFAOYSA-N	0	0	372.424	4.087	40	5		FIBBRN
O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2oc1=O	ZINC000101174654	222264552	/nfs/dbraw/zinc/26/45/52/222264552.db2.gz	GXPIQGAGZWXAAX-DHDCSXOGSA-N	0	0	358.737	4.323	40	5		FIBBRN
Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-]	ZINC000005618311	263342190	/nfs/dbraw/zinc/34/21/90/263342190.db2.gz	NZSOCOYDQYNPQC-UHFFFAOYSA-N	0	0	353.147	4.057	40	5		FIBBRN
CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OCC	ZINC000408569589	263473773	/nfs/dbraw/zinc/47/37/73/263473773.db2.gz	JSRJIAUATIOTFY-KRWDZBQOSA-N	0	0	354.406	4.374	40	5		FIBBRN
COc1ccc(N(C)C(=O)Nc2cc3ncccc3c3cccnc23)cc1	ZINC000408975889	263513222	/nfs/dbraw/zinc/51/32/22/263513222.db2.gz	OSSYUJLPSKPJNQ-UHFFFAOYSA-N	0	0	358.401	4.460	40	5		FIBBRN
CC(C)Oc1cccc(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000217893906	519782718	/nfs/dbraw/zinc/78/27/18/519782718.db2.gz	JBZXOEVZVCWXFQ-JLHYYAGUSA-N	0	0	368.433	4.144	40	5		FIBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2ccccc21	ZINC000020050962	527025173	/nfs/dbraw/zinc/02/51/73/527025173.db2.gz	ZUAZZENUJLIRKY-SFHVURJKSA-N	0	0	356.447	4.022	40	5		FIBBRN
CC1CCN(c2ccc(C(=O)Nc3cccnc3Cl)cc2[N+](=O)[O-])CC1	ZINC000057313590	568272484	/nfs/dbraw/zinc/27/24/84/568272484.db2.gz	ASPYBNQBUNJSRL-UHFFFAOYSA-N	0	0	374.828	4.132	40	5		FIBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C)cc2)n1-c1ccc(F)cc1	ZINC000408571032	570568464	/nfs/dbraw/zinc/56/84/64/570568464.db2.gz	MXHIQVBZTOOBIZ-QGZVFWFLSA-N	0	0	372.425	4.133	40	5		FIBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(F)cc2)n1-c1cccc(C)c1	ZINC000408572120	570568855	/nfs/dbraw/zinc/56/88/55/570568855.db2.gz	QRBCIZDTLVPXTH-QGZVFWFLSA-N	0	0	372.425	4.133	40	5		FIBBRN
CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br	ZINC000408604099	570569801	/nfs/dbraw/zinc/56/98/01/570569801.db2.gz	DJAHISUCHSXCMP-UHFFFAOYSA-N	0	0	351.200	4.368	40	5		FIBBRN
COc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-]	ZINC000408629308	570571514	/nfs/dbraw/zinc/57/15/14/570571514.db2.gz	WIGWMAKRHZRRPM-CQSZACIVSA-N	0	0	369.421	4.235	40	5		FIBBRN
Cc1ccc(Cl)cc1NC(=O)CSCc1cccc([N+](=O)[O-])c1	ZINC000408727540	570573348	/nfs/dbraw/zinc/57/33/48/570573348.db2.gz	QIJIEJANXKIRMK-UHFFFAOYSA-N	0	0	350.827	4.429	40	5		FIBBRN
O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1	ZINC000409126136	570581407	/nfs/dbraw/zinc/58/14/07/570581407.db2.gz	NAWIBGQBFHTVLJ-GHRIWEEISA-N	0	0	368.414	4.264	40	5		FIBBRN
Cc1cccc(CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000214625632	570702765	/nfs/dbraw/zinc/70/27/65/570702765.db2.gz	NPICMWGUTYWMTH-MHWRWJLKSA-N	0	0	354.387	4.140	40	5		FIBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc2ccncc2c2ncccc12	ZINC000408978046	570707040	/nfs/dbraw/zinc/70/70/40/570707040.db2.gz	XWOFBVZTPNKSCC-UHFFFAOYSA-N	0	0	359.345	4.335	40	5		FIBBRN
O=C(NCc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000014790083	570859368	/nfs/dbraw/zinc/85/93/68/570859368.db2.gz	GBVGZTBVLGCVIU-UHFFFAOYSA-N	0	0	358.703	4.197	40	5		FIBBRN
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21	ZINC000085221466	571109923	/nfs/dbraw/zinc/10/99/23/571109923.db2.gz	NNCRQBJNAGEBDM-UHFFFAOYSA-N	0	0	358.781	4.180	40	5		FIBBRN
CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000222955632	571204452	/nfs/dbraw/zinc/20/44/52/571204452.db2.gz	NTZILWLEIXURCM-INIZCTEOSA-N	0	0	358.394	4.016	40	5		FIBBRN
CCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC	ZINC000224700441	571277867	/nfs/dbraw/zinc/27/78/67/571277867.db2.gz	KKBDUZADXXIEHA-UHFFFAOYSA-N	0	0	358.394	4.091	40	5		FIBBRN
Cc1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1[N+](=O)[O-]	ZINC000033428935	571305512	/nfs/dbraw/zinc/30/55/12/571305512.db2.gz	GZJRCXBPEPJTON-UHFFFAOYSA-N	0	0	367.317	4.324	40	5		FIBBRN
Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1[N+](=O)[O-]	ZINC000033739438	571305881	/nfs/dbraw/zinc/30/58/81/571305881.db2.gz	PXOGCPLWGXQQLL-UHFFFAOYSA-N	0	0	359.813	4.409	40	5		FIBBRN
O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1	ZINC000214137497	571311898	/nfs/dbraw/zinc/31/18/98/571311898.db2.gz	BLSKLYLKPYFYAA-OQLLNIDSSA-N	0	0	374.805	4.485	40	5		FIBBRN
O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000008904054	571320847	/nfs/dbraw/zinc/32/08/47/571320847.db2.gz	VSVAQANAMZINFK-UHFFFAOYSA-N	0	0	368.389	4.337	40	5		FIBBRN
Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000009063960	571321035	/nfs/dbraw/zinc/32/10/35/571321035.db2.gz	XPGQHTKZAYRRGM-UHFFFAOYSA-N	0	0	362.345	4.292	40	5		FIBBRN
O=C(NCCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000010542388	571321529	/nfs/dbraw/zinc/32/15/29/571321529.db2.gz	SDHMQJCTIFJEQG-UHFFFAOYSA-N	0	0	353.205	4.264	40	5		FIBBRN
O=C(COc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000010860546	571321714	/nfs/dbraw/zinc/32/17/14/571321714.db2.gz	HSNIVZVCWAGNMR-UHFFFAOYSA-N	0	0	374.702	4.285	40	5		FIBBRN
COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1	ZINC000225536073	571337007	/nfs/dbraw/zinc/33/70/07/571337007.db2.gz	IGXVEUGSUKKORZ-UHFFFAOYSA-N	0	0	354.406	4.444	40	5		FIBBRN
O=C(CSCc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000216386558	571342361	/nfs/dbraw/zinc/34/23/61/571342361.db2.gz	GWUMDWBVVCFYGT-UHFFFAOYSA-N	0	0	354.790	4.259	40	5		FIBBRN
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003560938	571351097	/nfs/dbraw/zinc/35/10/97/571351097.db2.gz	GIOSGZHUVDCIJE-UHFFFAOYSA-N	0	0	360.675	4.399	40	5		FIBBRN
COc1ccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1	ZINC000059475468	571357356	/nfs/dbraw/zinc/35/73/56/571357356.db2.gz	WJYUZBCFEBECRU-UHFFFAOYSA-N	0	0	356.300	4.113	40	5		FIBBRN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(C)c(C)c3)nc21	ZINC000010010537	219890012	/nfs/dbraw/zinc/89/00/12/219890012.db2.gz	XQEXSAMQSQQQSO-UHFFFAOYSA-N	0	0	357.391	4.082	40	5		FIBBRN
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1	ZINC000013562978	220075394	/nfs/dbraw/zinc/07/53/94/220075394.db2.gz	AAIHEZGNYXLYBB-VXVSGHKGSA-N	0	0	358.397	4.403	40	5		FIBBRN
COc1ccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1[N+](=O)[O-]	ZINC000016227643	220181429	/nfs/dbraw/zinc/18/14/29/220181429.db2.gz	SYRZZWMNQWLYEZ-GZTJUZNOSA-N	0	0	374.352	4.101	40	5		FIBBRN
Cc1ccccc1[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000020104159	220313264	/nfs/dbraw/zinc/31/32/64/220313264.db2.gz	AKNWLHFPNKHQLS-JOCHJYFZSA-N	0	0	360.413	4.352	40	5		FIBBRN
CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000063848826	221143203	/nfs/dbraw/zinc/14/32/03/221143203.db2.gz	QSEOCPIKIQEVJF-UHFFFAOYSA-N	0	0	368.414	4.087	40	5		FIBBRN
CN(C)c1ccc2nc3ccc(=[N+](C)CCCC(=O)[O-])cc-3sc2c1	ZINC000098175217	222230250	/nfs/dbraw/zinc/23/02/50/222230250.db2.gz	PNNUZEYRJBMGCH-UHFFFAOYSA-O	0	0	356.471	4.098	40	5		FIBBRN
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000009141760	263360118	/nfs/dbraw/zinc/36/01/18/263360118.db2.gz	ZAMANZJALGASHQ-AATRIKPKSA-N	0	0	361.741	4.117	40	5		FIBBRN
CCn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1	ZINC000009663806	263362144	/nfs/dbraw/zinc/36/21/44/263362144.db2.gz	NBJJSNOEECCBQX-UHFFFAOYSA-N	0	0	354.435	4.089	40	5		FIBBRN
O=[N+]([O-])c1ccc(SOC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1	ZINC000408733314	263492133	/nfs/dbraw/zinc/49/21/33/263492133.db2.gz	XHUVFNBMAHBWDD-UHFFFAOYSA-N	0	0	350.396	4.496	40	5		FIBBRN
Cc1ccc(SC(=O)NCCOc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000019894536	525639912	/nfs/dbraw/zinc/63/99/12/525639912.db2.gz	DTQYYXXJXDRIBA-UHFFFAOYSA-N	0	0	366.826	4.437	40	5		FIBBRN
Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000057313814	568272628	/nfs/dbraw/zinc/27/26/28/568272628.db2.gz	AEDVXGYVMZWBKQ-UHFFFAOYSA-N	0	0	365.345	4.001	40	5		FIBBRN
Cc1ccc(NC(=O)/C=C/c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)cc1	ZINC000408527031	570507905	/nfs/dbraw/zinc/50/79/05/570507905.db2.gz	AKPYCPHVCFFERI-JXMROGBWSA-N	0	0	360.373	4.012	40	5		FIBBRN
COc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	ZINC000004893848	570555059	/nfs/dbraw/zinc/55/50/59/570555059.db2.gz	HPSMZNVHQUQVJY-UHFFFAOYSA-N	0	0	352.346	4.424	40	5		FIBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C)cc2)n1-c1ccc(C)cc1	ZINC000408577434	570568808	/nfs/dbraw/zinc/56/88/08/570568808.db2.gz	ZMFDHNMBSPMSBD-GOSISDBHSA-N	0	0	368.462	4.303	40	5		FIBBRN
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C)cc2)n1-c1cccc(C)c1	ZINC000408571054	570568951	/nfs/dbraw/zinc/56/89/51/570568951.db2.gz	NCLKAKHBDUWTMB-SFHVURJKSA-N	0	0	368.462	4.303	40	5		FIBBRN
COc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCC4)cc1[N+](=O)[O-]	ZINC000408987211	570578903	/nfs/dbraw/zinc/57/89/03/570578903.db2.gz	FDCRNXXQBHXFLN-UHFFFAOYSA-N	0	0	371.418	4.250	40	5		FIBBRN
CC(C)NC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1	ZINC000408976069	570706242	/nfs/dbraw/zinc/70/62/42/570706242.db2.gz	PCEFHMCMIZVJNS-UHFFFAOYSA-N	0	0	367.412	4.018	40	5		FIBBRN
CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	ZINC000409018504	570712966	/nfs/dbraw/zinc/71/29/66/570712966.db2.gz	MLEHUUSPIIQPRV-DHDCSXOGSA-N	0	0	358.375	4.300	40	5		FIBBRN
CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	ZINC000409019375	570713774	/nfs/dbraw/zinc/71/37/74/570713774.db2.gz	RLJXQLBYKUJIIF-DHDCSXOGSA-N	0	0	358.375	4.300	40	5		FIBBRN
CCc1ccc(-n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409095332	570721530	/nfs/dbraw/zinc/72/15/30/570721530.db2.gz	BWRRRJNZJASJKH-UHFFFAOYSA-N	0	0	354.435	4.339	40	5		FIBBRN
COc1ccccc1Nc1nc(Nc2ccc(C)cc2)nc(C)c1[N+](=O)[O-]	ZINC000004359207	570754952	/nfs/dbraw/zinc/75/49/52/570754952.db2.gz	CESAAEBLPOLXSH-UHFFFAOYSA-N	0	0	365.393	4.497	40	5		FIBBRN
O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000106685506	570893286	/nfs/dbraw/zinc/89/32/86/570893286.db2.gz	SHIMTAJCFPCWIU-DHDCSXOGSA-N	0	0	374.805	4.485	40	5		FIBBRN
Cc1csc(=Nc2ccccc2)n1CCNc1ccccc1[N+](=O)[O-]	ZINC000584906143	571100529	/nfs/dbraw/zinc/10/05/29/571100529.db2.gz	ILKHQYWXJWGCJM-UHFFFAOYSA-N	0	0	354.435	4.111	40	5		FIBBRN
CCOc1ccccc1CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013674646	571110440	/nfs/dbraw/zinc/11/04/40/571110440.db2.gz	NHPVYRLBDRPMTE-UHFFFAOYSA-N	0	0	362.813	4.010	40	5		FIBBRN
O=[N+]([O-])c1ccc2c(/C=C/c3ccccn3)nn([C@H]3CCCCO3)c2c1	ZINC000069593866	571127782	/nfs/dbraw/zinc/12/77/82/571127782.db2.gz	BKXMYFOISYYOLE-QPGLYAHGSA-N	0	0	350.378	4.209	40	5		FIBBRN
Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)N2	ZINC000001106640	571146106	/nfs/dbraw/zinc/14/61/06/571146106.db2.gz	GOALJPIAUGPLFR-MRXNPFEDSA-N	0	0	369.402	4.387	40	5		FIBBRN
C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2	ZINC000222901274	571166073	/nfs/dbraw/zinc/16/60/73/571166073.db2.gz	HHKRZNQTAORJIN-SAAWKEMMSA-N	0	0	350.418	4.364	40	5		FIBBRN
Cc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl	ZINC000224120857	571192394	/nfs/dbraw/zinc/19/23/94/571192394.db2.gz	MVTBYAOWMWOZPP-UHFFFAOYSA-N	0	0	369.204	4.019	40	5		FIBBRN
Cc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000004748141	571229909	/nfs/dbraw/zinc/22/99/09/571229909.db2.gz	YTMQTNNYLMRBJN-UHFFFAOYSA-N	0	0	357.320	4.459	40	5		FIBBRN
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COC(C)C	ZINC000224721486	571278643	/nfs/dbraw/zinc/27/86/43/571278643.db2.gz	JCLHCKVNRVPACF-UHFFFAOYSA-N	0	0	372.421	4.479	40	5		FIBBRN
CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224777954	571280036	/nfs/dbraw/zinc/28/00/36/571280036.db2.gz	YTAQRASCMKEOEH-UHFFFAOYSA-N	0	0	368.842	4.080	40	5		FIBBRN
CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225082503	571293883	/nfs/dbraw/zinc/29/38/83/571293883.db2.gz	IIWCIVSVARFIJD-UHFFFAOYSA-N	0	0	368.842	4.080	40	5		FIBBRN
COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1	ZINC000007641451	571299376	/nfs/dbraw/zinc/29/93/76/571299376.db2.gz	NGAQFKFRONYYQQ-UHFFFAOYSA-N	0	0	369.402	4.288	40	5		FIBBRN
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1Cl	ZINC000015580204	571303699	/nfs/dbraw/zinc/30/36/99/571303699.db2.gz	FXVJCXHJFSSYGX-UHFFFAOYSA-N	0	0	374.702	4.285	40	5		FIBBRN
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc([N+](=O)[O-])o1	ZINC000046873973	571306467	/nfs/dbraw/zinc/30/64/67/571306467.db2.gz	GHTHLOSORVYPNB-UHFFFAOYSA-N	0	0	369.299	4.059	40	5		FIBBRN
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000010157716	571321366	/nfs/dbraw/zinc/32/13/66/571321366.db2.gz	JZTMFTOTIXUDOX-UHFFFAOYSA-N	0	0	352.390	4.446	40	5		FIBBRN
Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl	ZINC000002452985	571322723	/nfs/dbraw/zinc/32/27/23/571322723.db2.gz	SOOAZPBOFMJKEC-UHFFFAOYSA-N	0	0	360.826	4.336	40	5		FIBBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000218132115	571352536	/nfs/dbraw/zinc/35/25/36/571352536.db2.gz	FMIDABVWYLDALA-MRXNPFEDSA-N	0	0	354.406	4.244	40	5		FIBBRN
O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1O	ZINC000059474402	571357346	/nfs/dbraw/zinc/35/73/46/571357346.db2.gz	CGOVOGNMYVGPGS-UHFFFAOYSA-N	0	0	350.330	4.345	40	5		FIBBRN
COc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-]	ZINC000000830133	219327584	/nfs/dbraw/zinc/32/75/84/219327584.db2.gz	ADKXFDUJAFYRRG-UHFFFAOYSA-N	0	0	360.369	4.427	40	5		FIBBRN
O=C(N1CCCC1)C12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2	ZINC000001452412	219407354	/nfs/dbraw/zinc/40/73/54/219407354.db2.gz	JWTJKNKSBQHUGB-XBLGPDGASA-N	0	0	354.450	4.055	40	5		FIBBRN
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(Cl)c(Cl)c1	ZINC000001735620	219416799	/nfs/dbraw/zinc/41/67/99/219416799.db2.gz	AYSPZQUOXYCAQC-RIYZIHGNSA-N	0	0	363.156	4.246	40	5		FIBBRN
O=C(/C=C\c1ccccc1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1	ZINC000013563451	220075099	/nfs/dbraw/zinc/07/50/99/220075099.db2.gz	MKRMUERBQJOUJT-HJWRWDBZSA-N	0	0	361.357	4.434	40	5		FIBBRN
Cc1csc(=Nc2ccccc2)n1CCNc1ccccc1[N+](=O)[O-]	ZINC000065090449	221168546	/nfs/dbraw/zinc/16/85/46/221168546.db2.gz	ILKHQYWXJWGCJM-UHFFFAOYSA-O	0	0	355.443	4.108	40	5		FIBBRN
CN(C)c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-]	ZINC000072229342	221452481	/nfs/dbraw/zinc/45/24/81/221452481.db2.gz	MESUTJAPPCCEIC-UHFFFAOYSA-N	0	0	354.193	4.220	40	5		FIBBRN
COc1cc(C=O)cc(Cl)c1OCc1c(Cl)cccc1[N+](=O)[O-]	ZINC000004614824	263335232	/nfs/dbraw/zinc/33/52/32/263335232.db2.gz	QEUAGALQQSDDQB-UHFFFAOYSA-N	0	0	356.161	4.302	40	5		FIBBRN
COc1ccc(Nc2nc(NCc3ccccc3)nc(C)c2[N+](=O)[O-])cc1	ZINC000005336467	263340335	/nfs/dbraw/zinc/34/03/35/263340335.db2.gz	RRMLZDGAIUHTAC-UHFFFAOYSA-N	0	0	365.393	4.058	40	5		FIBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000006471794	263345050	/nfs/dbraw/zinc/34/50/50/263345050.db2.gz	NDFBEHZXDMWZHR-UHFFFAOYSA-N	0	0	353.290	4.015	40	5		FIBBRN
O=C(Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000008470786	263354992	/nfs/dbraw/zinc/35/49/92/263354992.db2.gz	SFLWMYAJHJSLBX-UHFFFAOYSA-N	0	0	361.357	4.099	40	5		FIBBRN
CN(C)c1ccc(NC(=O)Nc2cc3cccnc3c3cccnc23)cc1	ZINC000408974359	263512143	/nfs/dbraw/zinc/51/21/43/263512143.db2.gz	FHCVFDGHDALURS-UHFFFAOYSA-N	0	0	357.417	4.493	40	5		FIBBRN
CC(C)Oc1cccc(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000217887880	519782665	/nfs/dbraw/zinc/78/26/65/519782665.db2.gz	NNYZHKCQWAZDHB-VAWYXSNFSA-N	0	0	368.433	4.144	40	5		FIBBRN
CCC(=O)N(c1ccccc1)[C@H]1CC[N@+]([O-])(CCc2ccccc2)CC1	ZINC000261300772	521091244	/nfs/dbraw/zinc/09/12/44/521091244.db2.gz	RYSCOBQROPDNKR-PEPAQOBHSA-N	0	0	352.478	4.149	40	5		FIBBRN
CC(C)(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccncc2)n1	ZINC000328982196	526337308	/nfs/dbraw/zinc/33/73/08/526337308.db2.gz	GYKILGHTELBEKU-UHFFFAOYSA-N	0	0	364.409	4.401	40	5		FIBBRN
O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1F	ZINC000072229257	570535292	/nfs/dbraw/zinc/53/52/92/570535292.db2.gz	MGNMNPAFXCRUHJ-UHFFFAOYSA-N	0	0	363.776	4.240	40	5		FIBBRN
CCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1Br	ZINC000408541743	570567568	/nfs/dbraw/zinc/56/75/68/570567568.db2.gz	DMQSCCWSTGYOOS-FNORWQNLSA-N	0	0	353.172	4.223	40	5		FIBBRN
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C)cc2)n1-c1cccc(C)c1	ZINC000408571053	570568897	/nfs/dbraw/zinc/56/88/97/570568897.db2.gz	NCLKAKHBDUWTMB-GOSISDBHSA-N	0	0	368.462	4.303	40	5		FIBBRN
O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2cccc(Cl)c2)o1	ZINC000408606122	570569616	/nfs/dbraw/zinc/56/96/16/570569616.db2.gz	OIEPILBWSAHPMF-UHFFFAOYSA-N	0	0	361.766	4.262	40	5		FIBBRN
O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000408629011	570570279	/nfs/dbraw/zinc/57/02/79/570570279.db2.gz	HVTMVNFLLSMSPU-UHFFFAOYSA-N	0	0	366.417	4.409	40	5		FIBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)cc(Cl)c1OC	ZINC000408623472	570570532	/nfs/dbraw/zinc/57/05/32/570570532.db2.gz	UOMSLOQUKLWDQO-UHFFFAOYSA-N	0	0	371.176	4.171	40	5		FIBBRN
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccccc1	ZINC000408810787	570574587	/nfs/dbraw/zinc/57/45/87/570574587.db2.gz	JSTLSGFHLFDGNF-ZROIWOOFSA-N	0	0	360.778	4.489	40	5		FIBBRN
O=C(Nc1cccc(Br)c1)c1coc2ccc([N+](=O)[O-])cc12	ZINC000408968153	570578714	/nfs/dbraw/zinc/57/87/14/570578714.db2.gz	WTFLTCDRROSOQV-UHFFFAOYSA-N	0	0	361.151	4.356	40	5		FIBBRN
O=[N+]([O-])c1ccc(Oc2c(Cl)cc(CO)cc2Cl)c([N+](=O)[O-])c1	ZINC000409115855	570729417	/nfs/dbraw/zinc/72/94/17/570729417.db2.gz	HVEBAEQAIXMSSP-UHFFFAOYSA-N	0	0	359.121	4.094	40	5		FIBBRN
O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	ZINC000039860697	571065716	/nfs/dbraw/zinc/06/57/16/571065716.db2.gz	DZUMUKMJEFJULH-ZROIWOOFSA-N	0	0	360.778	4.489	40	5		FIBBRN
CCCc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000001787235	571193040	/nfs/dbraw/zinc/19/30/40/571193040.db2.gz	BTBUWIVPXZBFBQ-UHFFFAOYSA-N	0	0	372.421	4.354	40	5		FIBBRN
Cc1cc(=O)oc2cc(OC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])ccc12	ZINC000004800856	571237133	/nfs/dbraw/zinc/23/71/33/571237133.db2.gz	WDDOJAXIJQSVEM-UHFFFAOYSA-N	0	0	374.736	4.274	40	5		FIBBRN
Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-]	ZINC000006966950	571255932	/nfs/dbraw/zinc/25/59/32/571255932.db2.gz	DIKMSNNUGJMRIP-UHFFFAOYSA-N	0	0	353.422	4.392	40	5		FIBBRN
CC[C@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000007079995	571260013	/nfs/dbraw/zinc/26/00/13/571260013.db2.gz	GSTTULKNCBCXIZ-ZDUSSCGKSA-N	0	0	358.394	4.134	40	5		FIBBRN
CCc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000008201041	571300703	/nfs/dbraw/zinc/30/07/03/571300703.db2.gz	AITNOSYNEOYSDL-UHFFFAOYSA-N	0	0	371.418	4.412	40	5		FIBBRN
O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccccc1[N+](=O)[O-]	ZINC000020140805	571328066	/nfs/dbraw/zinc/32/80/66/571328066.db2.gz	ZEIGYORXFNOFCV-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
O=Cc1cn(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc12	ZINC000226769245	571342297	/nfs/dbraw/zinc/34/22/97/571342297.db2.gz	CJGBWVZPOOHSDX-UHFFFAOYSA-N	0	0	360.325	4.311	40	5		FIBBRN
Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000057316083	571342571	/nfs/dbraw/zinc/34/25/71/571342571.db2.gz	KUOLBKVQBRXGIA-UHFFFAOYSA-N	0	0	365.345	4.001	40	5		FIBBRN
Cc1ccccc1CSCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000003380484	571348757	/nfs/dbraw/zinc/34/87/57/571348757.db2.gz	MEQAERYQOBXBKV-UHFFFAOYSA-N	0	0	350.827	4.429	40	5		FIBBRN
Cc1cc2cc(CNc3ccc([N+](=O)[O-])cc3C)c(=O)[nH]c2cc1Cl	ZINC000004126356	571355738	/nfs/dbraw/zinc/35/57/38/571355738.db2.gz	WUEOCGUDPNTZQL-UHFFFAOYSA-N	0	0	357.797	4.319	40	5		FIBBRN
O=C(Nc1c2nsnc2ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000059294125	571356694	/nfs/dbraw/zinc/35/66/94/571356694.db2.gz	ZIMHHTZGPWUCCL-UHFFFAOYSA-N	0	0	369.189	4.159	40	5		FIBBRN
COc1cccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1	ZINC000059475469	571357298	/nfs/dbraw/zinc/35/72/98/571357298.db2.gz	AOPBKNCMGLVYBL-UHFFFAOYSA-N	0	0	356.300	4.113	40	5		FIBBRN
Cc1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000059502365	571357418	/nfs/dbraw/zinc/35/74/18/571357418.db2.gz	CJPQTPIJYBNXIR-CXUHLZMHSA-N	0	0	369.402	4.009	40	5		FIBBRN
O=C(NCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000015977000	220173646	/nfs/dbraw/zinc/17/36/46/220173646.db2.gz	TYZZEDKETAXSGZ-UHFFFAOYSA-N	0	0	358.703	4.197	40	5		FIBBRN
Cc1cs/c(=N\c2ccccc2)n1CCNc1ccccc1[N+](=O)[O-]	ZINC000101375723	222273632	/nfs/dbraw/zinc/27/36/32/222273632.db2.gz	ILKHQYWXJWGCJM-ZZEZOPTASA-N	0	0	354.435	4.111	40	5		FIBBRN
CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000020452997	263380062	/nfs/dbraw/zinc/38/00/62/263380062.db2.gz	DCMXQCGMMVDFPL-RMKNXTFCSA-N	0	0	374.780	4.077	40	5		FIBBRN
Cc1cc(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000408813117	263497909	/nfs/dbraw/zinc/49/79/09/263497909.db2.gz	ODLFECMYNIWXOX-NVNXTCNLSA-N	0	0	358.375	4.138	40	5		FIBBRN
CC(C)c1ccc(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000217892693	519835599	/nfs/dbraw/zinc/83/55/99/519835599.db2.gz	OBADGZXXZDGVMK-JLHYYAGUSA-N	0	0	352.434	4.480	40	5		FIBBRN
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000217894506	520474773	/nfs/dbraw/zinc/47/47/73/520474773.db2.gz	SMXKOMYGTMSMAX-SDNWHVSQSA-N	0	0	368.433	4.146	40	5		FIBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1[N+](=O)[O-]	ZINC000020140823	527136214	/nfs/dbraw/zinc/13/62/14/527136214.db2.gz	YRJYBUPHHNPKOL-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000044138690	570491348	/nfs/dbraw/zinc/49/13/48/570491348.db2.gz	WYUHFTBSIWKENU-HXUWFJFHSA-N	0	0	374.396	4.339	40	5		FIBBRN
CN(C)c1c(Cl)c(=O)oc2c3cnc(-c4ccccc4)nc3ccc21	ZINC000001616810	570503077	/nfs/dbraw/zinc/50/30/77/570503077.db2.gz	QIYQCWAYEHWJAD-UHFFFAOYSA-N	0	0	351.793	4.123	40	5		FIBBRN
COC(=O)CCC(=O)c1cc(OC)c2cc3ccccc3cc2c1OC	ZINC000001698034	570504848	/nfs/dbraw/zinc/50/48/48/570504848.db2.gz	PAZJSGPLYNPQGB-UHFFFAOYSA-N	0	0	352.386	4.146	40	5		FIBBRN
O=C(Nc1ccc2ccccc2c1)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1	ZINC000408533667	570567283	/nfs/dbraw/zinc/56/72/83/570567283.db2.gz	RKDKPDHJPOCNHT-UHFFFAOYSA-N	0	0	370.368	4.457	40	5		FIBBRN
O=C1S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1	ZINC000408960656	570578658	/nfs/dbraw/zinc/57/86/58/570578658.db2.gz	HQCGJTWBTBAFOT-YUDPATCQSA-N	0	0	352.371	4.392	40	5		FIBBRN
COc1ccc(OC(=O)c2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1	ZINC000408722373	570676233	/nfs/dbraw/zinc/67/62/33/570676233.db2.gz	STKHLWCZIZZWAY-UHFFFAOYSA-N	0	0	369.380	4.492	40	5		FIBBRN
COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CCCC2	ZINC000408925405	570699437	/nfs/dbraw/zinc/69/94/37/570699437.db2.gz	KIVRCKORVVHONZ-UHFFFAOYSA-N	0	0	360.797	4.388	40	5		FIBBRN
O=C(Nc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005670867	570805628	/nfs/dbraw/zinc/80/56/28/570805628.db2.gz	DFZXZQKFJUYUBY-UHFFFAOYSA-N	0	0	373.565	4.402	40	5		FIBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)ccc1C(C)C	ZINC000005750585	570879141	/nfs/dbraw/zinc/87/91/41/570879141.db2.gz	DXVIHPYOWOWXLA-UHFFFAOYSA-N	0	0	358.394	4.053	40	5		FIBBRN
COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000044886255	570902321	/nfs/dbraw/zinc/90/23/21/570902321.db2.gz	MHBCDMNOPOXMIN-SFHVURJKSA-N	0	0	356.422	4.429	40	5		FIBBRN
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1Br	ZINC000045888903	570913934	/nfs/dbraw/zinc/91/39/34/570913934.db2.gz	URUMHAKMPHNKSQ-UHFFFAOYSA-N	0	0	363.211	4.480	40	5		FIBBRN
Cc1c(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cccc1[N+](=O)[O-]	ZINC000222991358	571044732	/nfs/dbraw/zinc/04/47/32/571044732.db2.gz	MOEMXDUAMSBKBN-AWEZNQCLSA-N	0	0	354.406	4.188	40	5		FIBBRN
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000038756418	571050089	/nfs/dbraw/zinc/05/00/89/571050089.db2.gz	URKLLWXNNFRBNB-KRWDZBQOSA-N	0	0	358.394	4.016	40	5		FIBBRN
C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2	ZINC000223153226	571050333	/nfs/dbraw/zinc/05/03/33/571050333.db2.gz	RFZHQSRMJXQPCA-CQSZACIVSA-N	0	0	370.474	4.194	40	5		FIBBRN
COc1cc(C)c([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C(C)C	ZINC000223272315	571071346	/nfs/dbraw/zinc/07/13/46/571071346.db2.gz	RMRAJMRTDAXGSA-OAHLLOKOSA-N	0	0	370.449	4.455	40	5		FIBBRN
COc1ccccc1N1C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])cc2C1=O	ZINC000001438083	571075191	/nfs/dbraw/zinc/07/51/91/571075191.db2.gz	XBAODRQCONZFJG-UHFFFAOYSA-N	0	0	374.352	4.071	40	5		FIBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2	ZINC000223469748	571125270	/nfs/dbraw/zinc/12/52/70/571125270.db2.gz	DTPTUQYAZQLYIP-CQSZACIVSA-N	0	0	354.406	4.188	40	5		FIBBRN
CC(C)OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000006151756	571137975	/nfs/dbraw/zinc/13/79/75/571137975.db2.gz	MKKMMLFCLLPOMC-UHFFFAOYSA-N	0	0	362.769	4.066	40	5		FIBBRN
Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-]	ZINC000222958283	571204511	/nfs/dbraw/zinc/20/45/11/571204511.db2.gz	UHGJSEDUYBGISY-UHFFFAOYSA-N	0	0	374.809	4.327	40	5		FIBBRN
Nc1c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)sc(=S)n1-c1ccccc1	ZINC000006161376	571295373	/nfs/dbraw/zinc/29/53/73/571295373.db2.gz	PNFWGRCYDXRHLF-UHFFFAOYSA-N	0	0	369.431	4.302	40	5		FIBBRN
S=C(NCc1ccco1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1	ZINC000038201688	571309469	/nfs/dbraw/zinc/30/94/69/571309469.db2.gz	PATFVARJFZMSOF-UHFFFAOYSA-N	0	0	373.441	4.344	40	5		FIBBRN
O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000020141109	571328032	/nfs/dbraw/zinc/32/80/32/571328032.db2.gz	AAQMMKGZIXGEFZ-UHFFFAOYSA-N	0	0	372.764	4.253	40	5		FIBBRN
CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(C)c1	ZINC000225621577	571337587	/nfs/dbraw/zinc/33/75/87/571337587.db2.gz	CVMRSJUFQWAOOI-NUCSPZLJSA-N	0	0	354.406	4.193	40	5		FIBBRN
CN(C)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1Br	ZINC000216878043	571343386	/nfs/dbraw/zinc/34/33/86/571343386.db2.gz	VLVKXUIHQMAOCI-UHFFFAOYSA-N	0	0	362.183	4.232	40	5		FIBBRN
Cc1cc(NSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n(-c2ccccc2)n1	ZINC000003140319	571345054	/nfs/dbraw/zinc/34/50/54/571345054.db2.gz	MRTWXLGEQDNKQC-UHFFFAOYSA-N	0	0	371.378	4.116	40	5		FIBBRN
COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000030757675	571348257	/nfs/dbraw/zinc/34/82/57/571348257.db2.gz	YLDYMDWHZVSPEU-SFHVURJKSA-N	0	0	356.422	4.050	40	5		FIBBRN