smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)cc1	ZINC000005109302	219650888	/nfs/dbraw/zinc/65/08/88/219650888.db2.gz	GAVMQKHLNXVYRV-JTQLQIEISA-N	0	0	350.168	4.008	10	5		FIBERN
Cc1nc(NC(=O)C2CCCCC2)sc1Cc1cccc([N+](=O)[O-])c1	ZINC000036639530	205019548	/nfs/dbraw/zinc/01/95/48/205019548.db2.gz	KKAJMMKYYUYSST-UHFFFAOYSA-N	0	0	359.451	4.469	10	5		FIBERN
CCCOc1ccccc1/C=C/C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000040946933	205085612	/nfs/dbraw/zinc/08/56/12/205085612.db2.gz	XESUQPYNPCJQES-DHZHZOJOSA-N	0	0	356.378	4.044	10	5		FIBERN
Cc1ccc(Oc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])cc1C	ZINC000040586256	205072464	/nfs/dbraw/zinc/07/24/64/205072464.db2.gz	PJOGVKLYLZVAKK-UHFFFAOYSA-N	0	0	362.389	4.488	10	5		FIBERN
COc1cccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2[N+](=O)[O-])c1	ZINC000040586935	205072736	/nfs/dbraw/zinc/07/27/36/205072736.db2.gz	NQQKJKIDDGIELX-UHFFFAOYSA-N	0	0	373.319	4.159	10	5		FIBERN
CCc1ccccc1Nc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-]	ZINC000040586042	205073593	/nfs/dbraw/zinc/07/35/93/205073593.db2.gz	QJEJCEMGCLJVRD-UHFFFAOYSA-N	0	0	361.405	4.385	10	5		FIBERN
CCc1ccccc1Nc1[nH]cnc(=NNc2ccccc2)c1[N+](=O)[O-]	ZINC000040587045	205073682	/nfs/dbraw/zinc/07/36/82/205073682.db2.gz	SJPOCHIFSJUJQW-UHFFFAOYSA-N	0	0	350.382	4.130	10	5		FIBERN
CN(c1ccccc1)c1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000040625592	205073872	/nfs/dbraw/zinc/07/38/72/205073872.db2.gz	ZGDNQADAICLOJZ-UHFFFAOYSA-N	0	0	357.320	4.175	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(Cl)c(Cl)c2)ncnc1N1CCCC1	ZINC000040591250	205073950	/nfs/dbraw/zinc/07/39/50/205073950.db2.gz	DVIUZQPJEKJIID-UHFFFAOYSA-N	0	0	354.197	4.035	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccc(Cl)c2Cl)ncnc1N1CCCC1	ZINC000040609049	205074377	/nfs/dbraw/zinc/07/43/77/205074377.db2.gz	CKRGPTNMTNFJQE-UHFFFAOYSA-N	0	0	354.197	4.035	10	5		FIBERN
Cc1cc(C)n(-c2ncnc(Nc3ccc(C(C)C)cc3)c2[N+](=O)[O-])n1	ZINC000040594924	205074898	/nfs/dbraw/zinc/07/48/98/205074898.db2.gz	TULYEWZNVAOUOP-UHFFFAOYSA-N	0	0	352.398	4.054	10	5		FIBERN
Cc1cc(C)n(-c2ncnc(Nc3cccc4ccccc43)c2[N+](=O)[O-])n1	ZINC000040627450	205074958	/nfs/dbraw/zinc/07/49/58/205074958.db2.gz	XTWDEPOGOJSDNN-UHFFFAOYSA-N	0	0	360.377	4.084	10	5		FIBERN
Cc1ccccc1Nc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-]	ZINC000040648078	205075965	/nfs/dbraw/zinc/07/59/65/205075965.db2.gz	HYSVJJCPXDLRSZ-UHFFFAOYSA-N	0	0	357.320	4.459	10	5		FIBERN
COc1ccccc1Oc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-]	ZINC000040648103	205076278	/nfs/dbraw/zinc/07/62/78/205076278.db2.gz	GXGZCTDFYWNWDX-UHFFFAOYSA-N	0	0	352.350	4.238	10	5		FIBERN
O=C(c1cc2ccccc2c2cccnc12)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000177922167	1088449963	/nfs/dbraw/zinc/44/99/63/1088449963.db2.gz	AAHUDFVEVPZPFA-GAJHUEQPSA-N	0	0	360.457	4.155	10	5		FIBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCc2c(O)cccc21	ZINC000190344340	1093093531	/nfs/dbraw/zinc/09/35/31/1093093531.db2.gz	SOOZCGHSWBBYCB-HNNXBMFYSA-N	0	0	355.394	4.116	10	5		FIBERN
Cc1nc(NC(=O)c2ccccc2)sc1Cc1cccc([N+](=O)[O-])c1	ZINC000036639224	205019372	/nfs/dbraw/zinc/01/93/72/205019372.db2.gz	JYQSEOGMMOSEEZ-UHFFFAOYSA-N	0	0	353.403	4.203	10	5		FIBERN
Cc1nc(NC(=O)Cc2ccccc2)sc1Cc1cccc([N+](=O)[O-])c1	ZINC000036639404	205019494	/nfs/dbraw/zinc/01/94/94/205019494.db2.gz	NMUHYVNQCRCSHL-UHFFFAOYSA-N	0	0	367.430	4.132	10	5		FIBERN
COc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3F)o2)c([N+](=O)[O-])c1	ZINC000040374476	205066535	/nfs/dbraw/zinc/06/65/35/205066535.db2.gz	XISUCOJPVZHWHF-UHFFFAOYSA-N	0	0	374.299	4.394	10	5		FIBERN
CCOc1ccccc1/C=C/C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000040950239	205085182	/nfs/dbraw/zinc/08/51/82/205085182.db2.gz	RGSXAWIBYGJKDQ-JXMROGBWSA-N	0	0	369.402	4.255	10	5		FIBERN
O=C(Nc1ccnc2cc(C(F)(F)F)ccc21)c1cccc([N+](=O)[O-])c1	ZINC000041057381	205088014	/nfs/dbraw/zinc/08/80/14/205088014.db2.gz	GWZDHKDUFHWULQ-UHFFFAOYSA-N	0	0	361.279	4.414	10	5		FIBERN
COc1ccc(C)cc1Nc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-]	ZINC000040583958	205072790	/nfs/dbraw/zinc/07/27/90/205072790.db2.gz	SPKWNHWTEVEKJH-UHFFFAOYSA-N	0	0	365.393	4.497	10	5		FIBERN
COc1ccc(Nc2ncnc(Nc3cc(C)cc(C)c3)c2[N+](=O)[O-])cc1	ZINC000040583023	205073000	/nfs/dbraw/zinc/07/30/00/205073000.db2.gz	KDQSFVQXKJWVAF-UHFFFAOYSA-N	0	0	365.393	4.497	10	5		FIBERN
COc1ccc(C)cc1Nc1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-]	ZINC000040583966	205073082	/nfs/dbraw/zinc/07/30/82/205073082.db2.gz	LLWPGMWKHTYJHW-UHFFFAOYSA-N	0	0	365.393	4.497	10	5		FIBERN
CC(C)(C)Nc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000040581840	205073216	/nfs/dbraw/zinc/07/32/16/205073216.db2.gz	JZSACYWDGPQQGJ-UHFFFAOYSA-N	0	0	366.219	4.101	10	5		FIBERN
O=[N+]([O-])c1c(NCc2ccccc2Cl)[nH]cnc1=NNc1ccccc1	ZINC000040624749	205073996	/nfs/dbraw/zinc/07/39/96/205073996.db2.gz	PAFRZNGTNMAPTR-UHFFFAOYSA-N	0	0	370.800	4.089	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Oc1cccc2cccnc21	ZINC000040618448	205074167	/nfs/dbraw/zinc/07/41/67/205074167.db2.gz	PNDWMWUQNIEBKD-UHFFFAOYSA-N	0	0	359.345	4.469	10	5		FIBERN
COc1ccc(Nc2ncnc(Nc3ccc(C)cc3C)c2[N+](=O)[O-])cc1	ZINC000040621087	205075143	/nfs/dbraw/zinc/07/51/43/205075143.db2.gz	CFHBKXZNZJLYGG-UHFFFAOYSA-N	0	0	365.393	4.497	10	5		FIBERN
COc1ccc(Oc2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])cc1	ZINC000040661294	205075702	/nfs/dbraw/zinc/07/57/02/205075702.db2.gz	PNMNDNNMUGVNGM-UHFFFAOYSA-N	0	0	358.398	4.320	10	5		FIBERN
Cc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2[N+](=O)[O-])cc1	ZINC000040649008	205075905	/nfs/dbraw/zinc/07/59/05/205075905.db2.gz	KBWQGNSQNCZERE-UHFFFAOYSA-N	0	0	357.320	4.459	10	5		FIBERN
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Br	ZINC000005514794	206239965	/nfs/dbraw/zinc/23/99/65/206239965.db2.gz	VJQHTEMAQWPCDI-UHFFFAOYSA-N	0	0	355.575	4.263	10	5		FIBERN
C[C@H](Nc1ccccc1I)c1ccccc1[N+](=O)[O-]	ZINC000020526315	206336986	/nfs/dbraw/zinc/33/69/86/206336986.db2.gz	WVMWFJMRKBQPHW-JTQLQIEISA-N	0	0	368.174	4.373	10	5		FIBERN
Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)ccc1[N+](=O)[O-]	ZINC000027745139	206458181	/nfs/dbraw/zinc/45/81/81/206458181.db2.gz	BOWBYMPQQSBRCL-LLVKDONJSA-N	0	0	363.211	4.157	10	5		FIBERN
CC(C)c1nnc2n1CCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]2C	ZINC000188453994	1083551448	/nfs/dbraw/zinc/55/14/48/1083551448.db2.gz	OPLNLQHKPPKVJF-AWEZNQCLSA-N	0	0	357.458	4.010	10	5		FIBERN
O=C(c1ccc(SCc2ccccc2F)c([N+](=O)[O-])c1)N1CCCC1	ZINC000003015220	204073669	/nfs/dbraw/zinc/07/36/69/204073669.db2.gz	PROLHINYUPYKAO-UHFFFAOYSA-N	0	0	360.410	4.262	10	5		FIBERN
O=C(NC(Cl)=C(Cl)Cl)OCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002577666	204044733	/nfs/dbraw/zinc/04/47/33/204044733.db2.gz	BWWAJRYOFAPIHC-UHFFFAOYSA-N	0	0	359.980	4.317	10	5		FIBERN
CCCc1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000005708300	204222001	/nfs/dbraw/zinc/22/20/01/204222001.db2.gz	WMARQALCLFNPTA-UHFFFAOYSA-N	0	0	371.418	4.175	10	5		FIBERN
CC(C)c1ccccc1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1	ZINC000010012258	204388426	/nfs/dbraw/zinc/38/84/26/204388426.db2.gz	WQHCTVRNKJTVCW-ZHACJKMWSA-N	0	0	369.446	4.245	10	5		FIBERN
Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-]	ZINC000010012415	204388588	/nfs/dbraw/zinc/38/85/88/204388588.db2.gz	RNCZFQNGJDOQQO-UHFFFAOYSA-N	0	0	357.435	4.153	10	5		FIBERN
O=C(Nc1ccnc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1	ZINC000041057907	205087604	/nfs/dbraw/zinc/08/76/04/205087604.db2.gz	DQQOIMQFOYUOOL-UHFFFAOYSA-N	0	0	372.178	4.158	10	5		FIBERN
Cc1ccc(C)c(Nc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])c1	ZINC000040586055	205072854	/nfs/dbraw/zinc/07/28/54/205072854.db2.gz	HWFNHOIAKJOAOT-UHFFFAOYSA-N	0	0	361.405	4.439	10	5		FIBERN
CCN(c1cccc(C)c1)c1ncnc(N2CCCCCC2)c1[N+](=O)[O-]	ZINC000040572244	205073135	/nfs/dbraw/zinc/07/31/35/205073135.db2.gz	LZKJCXOEJPLEGO-UHFFFAOYSA-N	0	0	355.442	4.232	10	5		FIBERN
CC(C)CN(CC(C)C)c1ncnc(N(C)Cc2ccccc2)c1[N+](=O)[O-]	ZINC000040572789	205073292	/nfs/dbraw/zinc/07/32/92/205073292.db2.gz	YPZHEVBYXDWATA-UHFFFAOYSA-N	0	0	371.485	4.140	10	5		FIBERN
Cc1cc(C)n(-c2ncnc(Oc3ccc(C(C)C)cc3)c2[N+](=O)[O-])n1	ZINC000040611124	205073945	/nfs/dbraw/zinc/07/39/45/205073945.db2.gz	AKKZFKJVPJHNGK-UHFFFAOYSA-N	0	0	353.382	4.103	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)[nH]cnc1=NNc1ccccc1	ZINC000040624483	205074479	/nfs/dbraw/zinc/07/44/79/205074479.db2.gz	CESRFMQEWZPYRH-UHFFFAOYSA-N	0	0	356.773	4.221	10	5		FIBERN
O=[N+]([O-])c1c(NCc2ccc(Cl)cc2)[nH]cnc1=NNc1ccccc1	ZINC000040624538	205074535	/nfs/dbraw/zinc/07/45/35/205074535.db2.gz	ORXXWRUYWZWDJT-UHFFFAOYSA-N	0	0	370.800	4.089	10	5		FIBERN
COc1ccccc1Nc1ncnc(Sc2ccccc2)c1[N+](=O)[O-]	ZINC000040648367	205076159	/nfs/dbraw/zinc/07/61/59/205076159.db2.gz	TUPFDQRUAJJYSC-UHFFFAOYSA-N	0	0	354.391	4.288	10	5		FIBERN
CCc1ccc2oc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1	ZINC000054644882	205202460	/nfs/dbraw/zinc/20/24/60/205202460.db2.gz	YBRWIKNBVVYPNX-UHFFFAOYSA-N	0	0	354.362	4.473	10	5		FIBERN
O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000055737878	205222788	/nfs/dbraw/zinc/22/27/88/205222788.db2.gz	NPUAETRMPBHNSP-CQSZACIVSA-N	0	0	351.189	4.319	10	5		FIBERN
Cc1cc(Br)ccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	ZINC000006281188	206241253	/nfs/dbraw/zinc/24/12/53/206241253.db2.gz	WZWVXADDQJWHKV-RMKNXTFCSA-N	0	0	361.195	4.318	10	5		FIBERN
O=[N+]([O-])c1c(Oc2cccc3ccccc32)ncnc1N1CCCCC1	ZINC000040583407	132946851	/nfs/dbraw/zinc/94/68/51/132946851.db2.gz	CQASOVPXJXHEQT-UHFFFAOYSA-N	0	0	350.378	4.321	10	5		FIBERN
c1ccc([C@H]2C=CC=c3nc4c(c5nc6ccccc6c-5c32)=CC=CC4)cc1	ZINC000642880862	571291486	/nfs/dbraw/zinc/29/14/86/571291486.db2.gz	MLRCWOSBVRQQIP-GOSISDBHSA-N	0	0	358.444	4.110	10	5		FIBERN
CC(C)c1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000189696915	1088603321	/nfs/dbraw/zinc/60/33/21/1088603321.db2.gz	HVFHVQQWKYVZPQ-CQSZACIVSA-N	0	0	359.451	4.195	10	5		FIBERN
CN1Cc2cc(N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)ccc2NC1=O	ZINC000193304279	1120673599	/nfs/dbraw/zinc/67/35/99/1120673599.db2.gz	SFHVHLFZEBUOEZ-SFHVURJKSA-N	0	0	352.394	4.062	10	5		FIBERN
O=C1c2ccccc2C(=O)N1c1ccccc1NCc1cccc([N+](=O)[O-])c1	ZINC000003187639	204080605	/nfs/dbraw/zinc/08/06/05/204080605.db2.gz	DXCUYXHTMDNWCO-UHFFFAOYSA-N	0	0	373.368	4.008	10	5		FIBERN
Brc1cccc(Nc2ncnc3cc4nccnc4cc32)c1	ZINC000003815106	204112148	/nfs/dbraw/zinc/11/21/48/204112148.db2.gz	ZZAZKOOJVIBTOP-UHFFFAOYSA-N	0	0	352.195	4.079	10	5		FIBERN
O=C(Nc1nc2c(cccc2F)s1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004331609	204133637	/nfs/dbraw/zinc/13/36/37/204133637.db2.gz	JXCFPYPORDIKJM-UHFFFAOYSA-N	0	0	351.746	4.249	10	5		FIBERN
O=c1c2cc(Br)ccc2oc2ccc(Br)cc21	ZINC000005887054	204229555	/nfs/dbraw/zinc/22/95/55/204229555.db2.gz	AOOPYZBRENDMPN-UHFFFAOYSA-N	0	0	353.997	4.471	10	5		FIBERN
Cc1ccc(CN2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000006009195	204233687	/nfs/dbraw/zinc/23/36/87/204233687.db2.gz	RWFFHTUVGRLIJK-YBEGLDIGSA-N	0	0	354.387	4.140	10	5		FIBERN
Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccccn1	ZINC000006720469	204263056	/nfs/dbraw/zinc/26/30/56/204263056.db2.gz	UNTMGBUFNCNYER-UHFFFAOYSA-N	0	0	371.440	4.277	10	5		FIBERN
CN(Cc1cc(Br)cs1)c1nc(Cl)ccc1[N+](=O)[O-]	ZINC000042403273	205095455	/nfs/dbraw/zinc/09/54/55/205095455.db2.gz	IXFJNSIGFODFJQ-UHFFFAOYSA-N	0	0	362.636	4.104	10	5		FIBERN
CC(C)(C)Nc1ncnc(Sc2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040581949	205072505	/nfs/dbraw/zinc/07/25/05/205072505.db2.gz	QDXOUJJJFJHMFC-UHFFFAOYSA-N	0	0	355.423	4.295	10	5		FIBERN
Cc1cc(C)cc(Nc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])c1	ZINC000040582900	205072535	/nfs/dbraw/zinc/07/25/35/205072535.db2.gz	CYIYKYALFHUNIS-UHFFFAOYSA-N	0	0	361.405	4.439	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cc(F)ccc2F)ncnc1N1CCc2ccccc21	ZINC000040586235	205072549	/nfs/dbraw/zinc/07/25/49/205072549.db2.gz	CGXUQIVTXKZLNI-UHFFFAOYSA-N	0	0	369.331	4.101	10	5		FIBERN
Cc1ccc2cccc(Nc3ncnc(NC(C)(C)C)c3[N+](=O)[O-])c2n1	ZINC000040581657	205072569	/nfs/dbraw/zinc/07/25/69/205072569.db2.gz	UVPIICSYXOZALR-UHFFFAOYSA-N	0	0	352.398	4.195	10	5		FIBERN
CCN(c1ccccc1)c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-]	ZINC000040573173	205072615	/nfs/dbraw/zinc/07/26/15/205072615.db2.gz	ITGNZLSHUGZLDO-UHFFFAOYSA-N	0	0	361.405	4.237	10	5		FIBERN
CCN(CC)c1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1[N+](=O)[O-]	ZINC000040608182	205073889	/nfs/dbraw/zinc/07/38/89/205073889.db2.gz	GGQJOVCRJXUKKY-UHFFFAOYSA-N	0	0	350.806	4.294	10	5		FIBERN
CCCCNc1ncnc(Oc2cccc3ccc(C)nc32)c1[N+](=O)[O-]	ZINC000040595048	205074327	/nfs/dbraw/zinc/07/43/27/205074327.db2.gz	PSEZDQZOWSKXQK-UHFFFAOYSA-N	0	0	353.382	4.246	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccc(Cl)c2)[nH]cnc1=NNc1ccccc1	ZINC000040624471	205074363	/nfs/dbraw/zinc/07/43/63/205074363.db2.gz	AFLOGOHRDWFUKY-UHFFFAOYSA-N	0	0	356.773	4.221	10	5		FIBERN
COc1ccccc1Nc1ncnc(N(CC(C)C)CC(C)C)c1[N+](=O)[O-]	ZINC000040613903	205074419	/nfs/dbraw/zinc/07/44/19/205074419.db2.gz	WDMBLUCYKRBCGP-UHFFFAOYSA-N	0	0	373.457	4.255	10	5		FIBERN
O=[N+]([O-])c1c(NCc2ccc(Cl)cc2)ncnc1Nc1ccccc1	ZINC000040647898	205074555	/nfs/dbraw/zinc/07/45/55/205074555.db2.gz	NJNQUJFSMGXXJJ-UHFFFAOYSA-N	0	0	355.785	4.394	10	5		FIBERN
O=[N+]([O-])c1c(NCc2ccccc2)ncnc1Oc1cccc2cccnc21	ZINC000040599190	205074962	/nfs/dbraw/zinc/07/49/62/205074962.db2.gz	HSVUUFHYSFKDHK-UHFFFAOYSA-N	0	0	373.372	4.337	10	5		FIBERN
Cc1c2nc(NCC(=O)c3ccc([N+](=O)[O-])cc3)sc2ccc1Cl	ZINC000054643949	205201536	/nfs/dbraw/zinc/20/15/36/205201536.db2.gz	QXKSPZUYDHGKHK-UHFFFAOYSA-N	0	0	361.810	4.461	10	5		FIBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1	ZINC000064982408	205312569	/nfs/dbraw/zinc/31/25/69/205312569.db2.gz	BIUWHGNLDCUOFN-CYBMUJFWSA-N	0	0	358.394	4.133	10	5		FIBERN
COc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1[N+](=O)[O-]	ZINC000072237723	205502644	/nfs/dbraw/zinc/50/26/44/205502644.db2.gz	DSMUVHJTBRZYNS-UHFFFAOYSA-N	0	0	364.283	4.074	10	5		FIBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nccs2)C1	ZINC000119977243	1084751332	/nfs/dbraw/zinc/75/13/32/1084751332.db2.gz	BFWFPRRQGQGNOQ-ZDUSSCGKSA-N	0	0	360.439	4.080	10	5		FIBERN
O=[N+]([O-])c1cccc(-c2n[nH]c3ncnc(Nc4cccc(Cl)c4)c32)c1	ZINC000003815230	204111287	/nfs/dbraw/zinc/11/12/87/204111287.db2.gz	BJCWVHPCCLIDDY-UHFFFAOYSA-N	0	0	366.768	4.325	10	5		FIBERN
CC(C)(C)Nc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-]	ZINC000040581720	205072936	/nfs/dbraw/zinc/07/29/36/205072936.db2.gz	FRPRGXQEPPDNLV-UHFFFAOYSA-N	0	0	355.320	4.358	10	5		FIBERN
Cc1cc(C)cc(Nc2ncnc(NCc3ccc(F)cc3)c2[N+](=O)[O-])c1	ZINC000040583096	205072991	/nfs/dbraw/zinc/07/29/91/205072991.db2.gz	FDCLPEXEKVCEIJ-UHFFFAOYSA-N	0	0	367.384	4.496	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccc(Cl)c2)ncnc1N1CCc2ccccc21	ZINC000040586153	205073406	/nfs/dbraw/zinc/07/34/06/205073406.db2.gz	UPRWYFPUBFMSAW-UHFFFAOYSA-N	0	0	367.796	4.476	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1N1CCc2ccccc21	ZINC000040586149	205073584	/nfs/dbraw/zinc/07/35/84/205073584.db2.gz	WPFRSUIOEUWADO-UHFFFAOYSA-N	0	0	367.796	4.476	10	5		FIBERN
CC(=O)c1ccc(Nc2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040625389	205074176	/nfs/dbraw/zinc/07/41/76/205074176.db2.gz	ZYWBNBDYONFVCT-UHFFFAOYSA-N	0	0	363.377	4.099	10	5		FIBERN
CCCCOc1ccc(Nc2ncnc(N(CC)CC)c2[N+](=O)[O-])cc1	ZINC000040607967	205074757	/nfs/dbraw/zinc/07/47/57/205074757.db2.gz	GXCAUGDMIKTXKA-UHFFFAOYSA-N	0	0	359.430	4.154	10	5		FIBERN
Cc1ccc(C)c(Nc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])c1	ZINC000040592416	205075043	/nfs/dbraw/zinc/07/50/43/205075043.db2.gz	JZADQOGCXRXFAU-UHFFFAOYSA-N	0	0	360.377	4.084	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1-n1cnc2ccccc21	ZINC000040648232	205075467	/nfs/dbraw/zinc/07/54/67/205075467.db2.gz	PRFMLGDZZDIEOD-UHFFFAOYSA-N	0	0	366.768	4.121	10	5		FIBERN
Cc1ccc(CNc2ncnc(Oc3ccc(C)cc3)c2[N+](=O)[O-])cc1	ZINC000040650719	205075936	/nfs/dbraw/zinc/07/59/36/205075936.db2.gz	QXZGHADEAKHGOU-UHFFFAOYSA-N	0	0	350.378	4.406	10	5		FIBERN
COc1ccccc1Nc1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-]	ZINC000040648356	205076165	/nfs/dbraw/zinc/07/61/65/205076165.db2.gz	MWCAXDQXKMLGBQ-UHFFFAOYSA-N	0	0	351.366	4.189	10	5		FIBERN
C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1	ZINC000006061265	206239971	/nfs/dbraw/zinc/23/99/71/206239971.db2.gz	WCFOZGDVKMGKSK-SNVBAGLBSA-N	0	0	350.168	4.008	10	5		FIBERN
O=[N+]([O-])c1c(N2CCc3ccccc32)ncnc1N1CCCc2ccccc21	ZINC000040586144	132946936	/nfs/dbraw/zinc/94/69/36/132946936.db2.gz	VJZBOCHDWXMIAT-UHFFFAOYSA-N	0	0	373.416	4.163	10	5		FIBERN
Cc1ccc(C[N@+]2(CCCS(=O)(=O)[O-])C=Nc3cc(C)c(C)cc32)cc1	ZINC000249697208	717164514	/nfs/dbraw/zinc/16/45/14/717164514.db2.gz	AMUHXSQNOMGGFI-JOCHJYFZSA-O	0	0	373.498	4.071	10	5		FIBERN
O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000247340113	1082547757	/nfs/dbraw/zinc/54/77/57/1082547757.db2.gz	SATXHVUXEQNXAI-UHFFFAOYSA-N	0	0	373.315	4.099	10	5		FIBERN
CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000109052959	1085585680	/nfs/dbraw/zinc/58/56/80/1085585680.db2.gz	KHAZKDWXCWGYHM-CQSZACIVSA-N	0	0	373.478	4.369	10	5		FIBERN
C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CN(C)C(=O)N2	ZINC000186534597	1107600117	/nfs/dbraw/zinc/60/01/17/1107600117.db2.gz	IVBMMRVMPVYLKA-CYBMUJFWSA-N	0	0	354.410	4.005	10	5		FIBERN
Cc1nc(NC(=O)Cc2ccccc2)sc1Cc1ccc([N+](=O)[O-])cc1	ZINC000036639405	205019545	/nfs/dbraw/zinc/01/95/45/205019545.db2.gz	LTOUKCIUGWGBNE-UHFFFAOYSA-N	0	0	367.430	4.132	10	5		FIBERN
O=C(CSc1ccc([N+](=O)[O-])cc1)c1sccc1Br	ZINC000037352009	205025229	/nfs/dbraw/zinc/02/52/29/205025229.db2.gz	FRPKEOAXKQPKOJ-UHFFFAOYSA-N	0	0	358.238	4.394	10	5		FIBERN
COc1ccc(-c2ccc(C(=O)Nc3cccc(F)c3)o2)c([N+](=O)[O-])c1	ZINC000040374480	205067063	/nfs/dbraw/zinc/06/70/63/205067063.db2.gz	PLLCMMRHQIBIII-UHFFFAOYSA-N	0	0	356.309	4.255	10	5		FIBERN
Cc1ccc(Nc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])cc1C	ZINC000040586051	205072441	/nfs/dbraw/zinc/07/24/41/205072441.db2.gz	XVXZBNODGMCWRO-UHFFFAOYSA-N	0	0	361.405	4.439	10	5		FIBERN
Cc1c(Cl)cccc1Nc1ncnc(Oc2cccnc2)c1[N+](=O)[O-]	ZINC000040588548	205072660	/nfs/dbraw/zinc/07/26/60/205072660.db2.gz	GECHXGCRUWCXIV-UHFFFAOYSA-N	0	0	357.757	4.278	10	5		FIBERN
Cc1cc(C)cc(Nc2[nH]cnc(=NNc3ccccc3)c2[N+](=O)[O-])c1	ZINC000040582980	205073050	/nfs/dbraw/zinc/07/30/50/205073050.db2.gz	NIEBZFFSUADTHH-UHFFFAOYSA-N	0	0	350.382	4.184	10	5		FIBERN
COc1ccc(C)cc1Nc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000040583970	205073064	/nfs/dbraw/zinc/07/30/64/205073064.db2.gz	SJXBFFGGVKXHDO-UHFFFAOYSA-N	0	0	369.356	4.328	10	5		FIBERN
CCc1ccccc1Nc1ncnc(Oc2ccc(OC)cc2)c1[N+](=O)[O-]	ZINC000040587188	205073643	/nfs/dbraw/zinc/07/36/43/205073643.db2.gz	RHIKQYVERNRLFA-UHFFFAOYSA-N	0	0	366.377	4.492	10	5		FIBERN
COc1ccccc1Nc1ncnc(Nc2cc(C)ccc2C)c1[N+](=O)[O-]	ZINC000040592018	205073903	/nfs/dbraw/zinc/07/39/03/205073903.db2.gz	QUOAXNSCUCVFGN-UHFFFAOYSA-N	0	0	365.393	4.497	10	5		FIBERN
CC(C)CN(CC(C)C)c1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000040613912	205074332	/nfs/dbraw/zinc/07/43/32/205074332.db2.gz	MTYZZVLLYUJSIU-UHFFFAOYSA-N	0	0	361.421	4.386	10	5		FIBERN
Cc1ccc2cccc(Oc3ncnc(NCCC(C)C)c3[N+](=O)[O-])c2n1	ZINC000040618688	205074789	/nfs/dbraw/zinc/07/47/89/205074789.db2.gz	CCFNCFUWGIBAJD-UHFFFAOYSA-N	0	0	367.409	4.492	10	5		FIBERN
Cc1cc(Cl)ccc1Nc1ncnc(N2CCCCCC2)c1[N+](=O)[O-]	ZINC000040590380	205074822	/nfs/dbraw/zinc/07/48/22/205074822.db2.gz	UFWTYKVVXFJBCU-UHFFFAOYSA-N	0	0	361.833	4.471	10	5		FIBERN
COc1ccc(Nc2ncnc(Nc3ccc(C)cc3)c2[N+](=O)[O-])cc1	ZINC000040648934	205075411	/nfs/dbraw/zinc/07/54/11/205075411.db2.gz	OFQGCAXWPVYTBH-UHFFFAOYSA-N	0	0	351.366	4.189	10	5		FIBERN
O=[N+]([O-])c1c(NC2CCCC2)ncnc1Sc1cccc2cccnc21	ZINC000040661154	205075914	/nfs/dbraw/zinc/07/59/14/205075914.db2.gz	JHNCYXLSTMGGAQ-UHFFFAOYSA-N	0	0	367.434	4.439	10	5		FIBERN
COc1ccccc1Nc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-]	ZINC000040648436	205076311	/nfs/dbraw/zinc/07/63/11/205076311.db2.gz	JTQDARAKZRWIGQ-UHFFFAOYSA-N	0	0	373.319	4.159	10	5		FIBERN
Cc1cc(Oc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])ccc1Cl	ZINC000040660374	205076456	/nfs/dbraw/zinc/07/64/56/205076456.db2.gz	GHCAQCJCBIJWNW-UHFFFAOYSA-N	0	0	358.741	4.326	10	5		FIBERN
CCOC(=O)c1cnc2nc(C)ccc2c1Nc1c(C)cccc1[N+](=O)[O-]	ZINC000047157896	205143269	/nfs/dbraw/zinc/14/32/69/205143269.db2.gz	YIVORKAUQQBYAO-UHFFFAOYSA-N	0	0	366.377	4.075	10	5		FIBERN
O=[N+]([O-])c1cc(Cl)ccc1OCCOc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000005511647	570628971	/nfs/dbraw/zinc/62/89/71/570628971.db2.gz	SFYZGHIDLYFCJY-UHFFFAOYSA-N	0	0	373.148	4.268	10	5		FIBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCc2c(O)cccc21	ZINC000190344318	1093093964	/nfs/dbraw/zinc/09/39/64/1093093964.db2.gz	SOOZCGHSWBBYCB-OAHLLOKOSA-N	0	0	355.394	4.116	10	5		FIBERN
CCOc1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1[N+](=O)[O-]	ZINC000186540878	1107599357	/nfs/dbraw/zinc/59/93/57/1107599357.db2.gz	JDXJDADTYIQCIF-LBPRGKRZSA-N	0	0	370.409	4.144	10	5		FIBERN
Cc1cc(C(=O)N[C@H](C)c2ccccc2Br)ccc1[N+](=O)[O-]	ZINC000007651565	203816549	/nfs/dbraw/zinc/81/65/49/203816549.db2.gz	JUGAUEJPJUQKNH-LLVKDONJSA-N	0	0	363.211	4.157	10	5		FIBERN
CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000001904983	204022547	/nfs/dbraw/zinc/02/25/47/204022547.db2.gz	BYYIOVKWOKJEAX-CMDGGOBGSA-N	0	0	374.418	4.102	10	5		FIBERN
CCOc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	ZINC000005476039	204210982	/nfs/dbraw/zinc/21/09/82/204210982.db2.gz	ALVMCZHCSRQHIK-UHFFFAOYSA-N	0	0	369.402	4.369	10	5		FIBERN
CC[C@@H](C)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000005909412	204229163	/nfs/dbraw/zinc/22/91/63/204229163.db2.gz	ATDPLVGOJRZVGQ-GFCCVEGCSA-N	0	0	357.366	4.198	10	5		FIBERN
CC(C)N(C)C(=O)c1cc2ccccc2c(-c2cc([N+](=O)[O-])ccc2F)n1	ZINC000039134241	205044557	/nfs/dbraw/zinc/04/45/57/205044557.db2.gz	WKNRNGLNXQHAGV-UHFFFAOYSA-N	0	0	367.380	4.430	10	5		FIBERN
CC(C)c1cccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1	ZINC000040866290	205082785	/nfs/dbraw/zinc/08/27/85/205082785.db2.gz	YAIPRAIPPDQTCZ-UHFFFAOYSA-N	0	0	371.418	4.345	10	5		FIBERN
Cc1cc(C)c(C)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1	ZINC000040868581	205083249	/nfs/dbraw/zinc/08/32/49/205083249.db2.gz	GRMMZIXPGBFGDF-UHFFFAOYSA-N	0	0	371.418	4.147	10	5		FIBERN
O=C(Nc1ccnc2ccc(C(F)(F)F)cc21)c1cccc([N+](=O)[O-])c1	ZINC000041057144	205087321	/nfs/dbraw/zinc/08/73/21/205087321.db2.gz	OCXGKNBQBCSMLJ-UHFFFAOYSA-N	0	0	361.279	4.414	10	5		FIBERN
O=[N+]([O-])c1c(F)cccc1Oc1cccc(I)c1	ZINC000042418319	205095486	/nfs/dbraw/zinc/09/54/86/205095486.db2.gz	JPIXLWSJTZIVKM-UHFFFAOYSA-N	0	0	359.094	4.131	10	5		FIBERN
CC(C)CN(CC(C)C)c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-]	ZINC000040586096	205073253	/nfs/dbraw/zinc/07/32/53/205073253.db2.gz	FOZUEELSKLUSRO-UHFFFAOYSA-N	0	0	369.469	4.197	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Oc1ccc2ccccc2c1	ZINC000040586595	205073560	/nfs/dbraw/zinc/07/35/60/205073560.db2.gz	GXJUUHVCDXKSKQ-UHFFFAOYSA-N	0	0	359.345	4.469	10	5		FIBERN
CC(C)CN(CC(C)C)c1ncnc(NCCc2ccccc2)c1[N+](=O)[O-]	ZINC000040610191	205073899	/nfs/dbraw/zinc/07/38/99/205073899.db2.gz	RZQUTUGVGCIECQ-UHFFFAOYSA-N	0	0	371.485	4.158	10	5		FIBERN
Cc1cc(Cl)ccc1Nc1ncnc(Nc2cccnc2)c1[N+](=O)[O-]	ZINC000040590485	205074142	/nfs/dbraw/zinc/07/41/42/205074142.db2.gz	YDHZWHKDNMARNA-UHFFFAOYSA-N	0	0	356.773	4.229	10	5		FIBERN
O=[N+]([O-])c1c(NC2CCCCC2)ncnc1Oc1cccc2cccnc21	ZINC000040597974	205074151	/nfs/dbraw/zinc/07/41/51/205074151.db2.gz	MXFRTZWVROKYMK-UHFFFAOYSA-N	0	0	365.393	4.470	10	5		FIBERN
COc1ccccc1Oc1ncnc(N(CC(C)C)CC(C)C)c1[N+](=O)[O-]	ZINC000040614012	205074784	/nfs/dbraw/zinc/07/47/84/205074784.db2.gz	VDFLCZMFCRLSOQ-UHFFFAOYSA-N	0	0	374.441	4.304	10	5		FIBERN
Cc1ccc(C)c(Nc2[nH]cnc(=NNc3ccccc3)c2[N+](=O)[O-])c1	ZINC000040591899	205074846	/nfs/dbraw/zinc/07/48/46/205074846.db2.gz	YSQDMTNLLYUQHC-UHFFFAOYSA-N	0	0	350.382	4.184	10	5		FIBERN
Cc1ccc(Nc2ncnc(Nc3ccccc3Cl)c2[N+](=O)[O-])nc1	ZINC000040648190	205075920	/nfs/dbraw/zinc/07/59/20/205075920.db2.gz	BWIMRFXKAUKLSL-UHFFFAOYSA-N	0	0	356.773	4.229	10	5		FIBERN
C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCCC3)cc2[N+](=O)[O-])C1	ZINC000004660659	132387063	/nfs/dbraw/zinc/38/70/63/132387063.db2.gz	ZCGKIEOVQSLYTP-OAHLLOKOSA-N	0	0	359.470	4.284	10	5		FIBERN
CC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2Br)c(Cl)c1	ZINC000120384032	568248187	/nfs/dbraw/zinc/24/81/87/568248187.db2.gz	OHLWFVIQHVVBRM-UHFFFAOYSA-N	0	0	371.574	4.401	10	5		FIBERN
COc1ccc(Cc2nc(CSc3ccc([N+](=O)[O-])cn3)cs2)cc1	ZINC000023308321	570483098	/nfs/dbraw/zinc/48/30/98/570483098.db2.gz	VHJSISLXNKVQBV-UHFFFAOYSA-N	0	0	373.459	4.338	10	5		FIBERN
Cc1cc2c(cc1C)[N@+](CCCS(=O)(=O)[O-])([C@H](C)c1ccccc1)C=N2	ZINC000249705872	717164971	/nfs/dbraw/zinc/16/49/71/717164971.db2.gz	NFZGBMRYRAVYAQ-VGSWGCGISA-O	0	0	373.498	4.323	10	5		FIBERN
Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1	ZINC000187006314	1079863307	/nfs/dbraw/zinc/86/33/07/1079863307.db2.gz	WNRFKJUUAGVMMI-LRDDRELGSA-N	0	0	374.466	4.276	10	5		FIBERN
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1csc(C)n1	ZINC000187111380	1079907026	/nfs/dbraw/zinc/90/70/26/1079907026.db2.gz	IQYZXIZJRPUALQ-QAPCUYQASA-N	0	0	373.478	4.292	10	5		FIBERN
CC(C)c1ccccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000005644751	204219918	/nfs/dbraw/zinc/21/99/18/204219918.db2.gz	UETNJXJXTAGIIF-UHFFFAOYSA-N	0	0	371.418	4.345	10	5		FIBERN
CC[C@H](C)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000005910196	204229612	/nfs/dbraw/zinc/22/96/12/204229612.db2.gz	ATDPLVGOJRZVGQ-LBPRGKRZSA-N	0	0	357.366	4.198	10	5		FIBERN
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(C(F)(F)F)cc1	ZINC000007307502	204294499	/nfs/dbraw/zinc/29/44/99/204294499.db2.gz	LAHBEYJYTGNIGH-UHFFFAOYSA-N	0	0	367.308	4.476	10	5		FIBERN
Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	ZINC000040868375	205082955	/nfs/dbraw/zinc/08/29/55/205082955.db2.gz	SERQPODAEGKKIE-RMKNXTFCSA-N	0	0	361.195	4.318	10	5		FIBERN
O=[N+]([O-])c1c(NC2CCCCCC2)ncnc1N1CCc2ccccc21	ZINC000040586243	205072523	/nfs/dbraw/zinc/07/25/23/205072523.db2.gz	HAMRYCYOMSJMTL-UHFFFAOYSA-N	0	0	353.426	4.214	10	5		FIBERN
Cc1ccc(Nc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])c(C)c1	ZINC000040586111	205072707	/nfs/dbraw/zinc/07/27/07/205072707.db2.gz	IPOSGUZEZFQRPJ-UHFFFAOYSA-N	0	0	361.405	4.439	10	5		FIBERN
CCN(c1cccc2ccccc21)c1ncnc(N2CCCC2)c1[N+](=O)[O-]	ZINC000040589044	205072850	/nfs/dbraw/zinc/07/28/50/205072850.db2.gz	GJLBFCUDIGJLJT-UHFFFAOYSA-N	0	0	363.421	4.296	10	5		FIBERN
CC(C)(C)Nc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-]	ZINC000040581505	205073312	/nfs/dbraw/zinc/07/33/12/205073312.db2.gz	TVZMODLQKPCSKO-UHFFFAOYSA-N	0	0	355.320	4.358	10	5		FIBERN
CCc1ccc(Nc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])cc1	ZINC000040586043	205073365	/nfs/dbraw/zinc/07/33/65/205073365.db2.gz	ZEPCXKYURCBRQG-UHFFFAOYSA-N	0	0	361.405	4.385	10	5		FIBERN
COc1cccc(Nc2ncnc(N(CC(C)C)CC(C)C)c2[N+](=O)[O-])c1	ZINC000040586795	205073553	/nfs/dbraw/zinc/07/35/53/205073553.db2.gz	COVNQWFYVHNDDP-UHFFFAOYSA-N	0	0	373.457	4.255	10	5		FIBERN
CC(C)(C)NN=c1nc[nH]c(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-]	ZINC000040591571	205074074	/nfs/dbraw/zinc/07/40/74/205074074.db2.gz	CZUGPXSHPXMMTC-UHFFFAOYSA-N	0	0	371.228	4.150	10	5		FIBERN
Cc1ccc(Cl)cc1Nc1ncnc(N2CCCCCC2)c1[N+](=O)[O-]	ZINC000040592486	205074242	/nfs/dbraw/zinc/07/42/42/205074242.db2.gz	CWRGRXFGRWVVTI-UHFFFAOYSA-N	0	0	361.833	4.471	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccc3ncccc32)[nH]cnc1=NNc1ccccc1	ZINC000040624645	205074560	/nfs/dbraw/zinc/07/45/60/205074560.db2.gz	HBPKXGPKRFYLMZ-UHFFFAOYSA-N	0	0	373.376	4.116	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1cccc2ccccc21	ZINC000040627021	205074639	/nfs/dbraw/zinc/07/46/39/205074639.db2.gz	YRSDVNUNZHGSCN-UHFFFAOYSA-N	0	0	358.361	4.420	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccc3cccnc32)ncnc1Oc1ccccc1	ZINC000040626395	205074946	/nfs/dbraw/zinc/07/49/46/205074946.db2.gz	FXWHOCQTDCAQTR-UHFFFAOYSA-N	0	0	359.345	4.469	10	5		FIBERN
CC(C)CCNc1ncnc(Oc2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040618519	205075173	/nfs/dbraw/zinc/07/51/73/205075173.db2.gz	CMDUQQASEAMSQP-UHFFFAOYSA-N	0	0	353.382	4.183	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccc(Cl)c2)ncnc1-n1cnc2ccccc21	ZINC000040648702	205076012	/nfs/dbraw/zinc/07/60/12/205076012.db2.gz	JUWSOOKXXYQQNN-UHFFFAOYSA-N	0	0	366.768	4.121	10	5		FIBERN
Cc1csc([C@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CCO2)n1	ZINC000302008407	568088799	/nfs/dbraw/zinc/08/87/99/568088799.db2.gz	BJZKHQAOMCOWLN-GFCCVEGCSA-N	0	0	374.249	4.244	10	5		FIBERN
O=[N+]([O-])c1cnc2c(Br)ccc(Br)c2c1Cl	ZINC000165876214	570980417	/nfs/dbraw/zinc/98/04/17/570980417.db2.gz	KTYCMRCQETXCIX-UHFFFAOYSA-N	0	0	366.396	4.321	10	5		FIBERN
CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2csc(C)n2)c1	ZINC000187064050	1079900946	/nfs/dbraw/zinc/90/09/46/1079900946.db2.gz	DCQNFAVCJBBBIX-HNNXBMFYSA-N	0	0	363.464	4.059	10	5		FIBERN
O=C(Nc1cnccc1-c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1F	ZINC000177526432	1081226634	/nfs/dbraw/zinc/22/66/34/1081226634.db2.gz	ZFPVANOLNNLHNE-UHFFFAOYSA-N	0	0	355.300	4.187	10	5		FIBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](c2nccs2)C1	ZINC000127792093	1085091754	/nfs/dbraw/zinc/09/17/54/1085091754.db2.gz	NJWHIXHUROJGNH-CYBMUJFWSA-N	0	0	360.439	4.080	10	5		FIBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O	ZINC000408065657	1090281863	/nfs/dbraw/zinc/28/18/63/1090281863.db2.gz	PJUUEWGCKQYYAC-LZJOCLMNSA-N	0	0	374.481	4.066	10	5		FIBERN
COc1ccc(NC(=O)Nc2ccc(C(C)C)cc2[N+](=O)[O-])cc1OC	ZINC000020550171	209627181	/nfs/dbraw/zinc/62/71/81/209627181.db2.gz	CUDDAKUKVGJQOA-UHFFFAOYSA-N	0	0	359.382	4.379	10	5		FIBERN
O=C1CC(c2ccncc2)=Nc2cc([N+](=O)[O-])ccc2N1Cc1ccccc1	ZINC000100898483	209218688	/nfs/dbraw/zinc/21/86/88/209218688.db2.gz	XYNUUCBSGYGDMM-UHFFFAOYSA-N	0	0	372.384	4.048	10	5		FIBERN
Cc1ccc2sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2c1C	ZINC000006302168	207135913	/nfs/dbraw/zinc/13/59/13/207135913.db2.gz	SWHJRWMIIYXCNX-VQHVLOKHSA-N	0	0	353.403	4.473	10	5		FIBERN
O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1csc(Br)c1	ZINC000037844521	208188882	/nfs/dbraw/zinc/18/88/82/208188882.db2.gz	JKAURJBTUPXZSZ-UHFFFAOYSA-N	0	0	361.604	4.325	10	5		FIBERN
COc1cc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C	ZINC000040882049	208273434	/nfs/dbraw/zinc/27/34/34/208273434.db2.gz	PVVAVAJLCJOAGX-PKNBQFBNSA-N	0	0	356.378	4.043	10	5		FIBERN
O=C(Nc1ccccc1[N+](=O)[O-])c1cc2cc(Br)ccc2o1	ZINC000041007284	208278620	/nfs/dbraw/zinc/27/86/20/208278620.db2.gz	XUXQJMMPGKAQMC-UHFFFAOYSA-N	0	0	361.151	4.356	10	5		FIBERN
Cc1cc(C)cc(Oc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])c1	ZINC000040582530	208256435	/nfs/dbraw/zinc/25/64/35/208256435.db2.gz	ZBBVFZRONUERSU-UHFFFAOYSA-N	0	0	350.378	4.406	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Sc1ccc(Cl)cc1	ZINC000040607603	208257980	/nfs/dbraw/zinc/25/79/80/208257980.db2.gz	UBKJUTSADUNFFV-UHFFFAOYSA-N	0	0	359.798	4.328	10	5		FIBERN
Cc1cccc(Nc2ncnc(NCc3ccc(F)cc3)c2[N+](=O)[O-])c1C	ZINC000040620807	208258247	/nfs/dbraw/zinc/25/82/47/208258247.db2.gz	OWYBNDASURDBGL-UHFFFAOYSA-N	0	0	367.384	4.496	10	5		FIBERN
Cc1cc(C)n(-c2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2[N+](=O)[O-])n1	ZINC000040660371	208261316	/nfs/dbraw/zinc/26/13/16/208261316.db2.gz	FXFCGLZAMXBFES-UHFFFAOYSA-N	0	0	373.800	4.250	10	5		FIBERN
Cc1nc2ccn(-c3ccccc3)c(=O)c2c2ccn(C3CCCC3)c(=O)c12	ZINC000072452743	208866417	/nfs/dbraw/zinc/86/64/17/208866417.db2.gz	VGYGKVVVDHZDHS-UHFFFAOYSA-N	0	0	371.440	4.124	10	5		FIBERN
CC(C)c1nnc2n1CCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]2C	ZINC000188453967	1083550124	/nfs/dbraw/zinc/55/01/24/1083550124.db2.gz	OPLNLQHKPPKVJF-CQSZACIVSA-N	0	0	357.458	4.010	10	5		FIBERN
CC(C)(C)c1ccc(C(=O)N2CCCc3c(N)cccc32)cc1[N+](=O)[O-]	ZINC000236671091	1083906897	/nfs/dbraw/zinc/90/68/97/1083906897.db2.gz	LJQFUWOGTWDXFH-UHFFFAOYSA-N	0	0	353.422	4.068	10	5		FIBERN
CCOc1ccc(N2C(=O)S/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000039859882	208213799	/nfs/dbraw/zinc/21/37/99/208213799.db2.gz	ZXZONYRNTROABD-WJDWOHSUSA-N	0	0	370.386	4.234	10	5		FIBERN
COc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1	ZINC000040926587	208273786	/nfs/dbraw/zinc/27/37/86/208273786.db2.gz	GNPZUGIJWCXAMK-UHFFFAOYSA-N	0	0	369.402	4.288	10	5		FIBERN
CCOc1ccccc1-c1csc(NC(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000040926548	208273808	/nfs/dbraw/zinc/27/38/08/208273808.db2.gz	HKRXSLBNOGYWIQ-UHFFFAOYSA-N	0	0	369.402	4.369	10	5		FIBERN
CCN(c1cccc(C)c1)c1ncnc(Oc2cccnc2)c1[N+](=O)[O-]	ZINC000040572537	208257118	/nfs/dbraw/zinc/25/71/18/208257118.db2.gz	DIICUIIQVNANRI-UHFFFAOYSA-N	0	0	351.366	4.039	10	5		FIBERN
CCc1ccc(Nc2[nH]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040587273	208257185	/nfs/dbraw/zinc/25/71/85/208257185.db2.gz	BQOIKTXDHJLSAX-UHFFFAOYSA-N	0	0	350.382	4.130	10	5		FIBERN
CC(C)CN(CC(C)C)c1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-]	ZINC000040613872	208257959	/nfs/dbraw/zinc/25/79/59/208257959.db2.gz	FQTWDHGWVPZNAI-UHFFFAOYSA-N	0	0	357.458	4.271	10	5		FIBERN
Cc1ccc2cccc(Oc3ncnc(Nc4cccnc4)c3[N+](=O)[O-])c2n1	ZINC000040618597	208258231	/nfs/dbraw/zinc/25/82/31/208258231.db2.gz	NJUBMHNXLFUVGY-UHFFFAOYSA-N	0	0	374.360	4.172	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccc3ncccc32)ncnc1N1CCCCCC1	ZINC000040610113	208258384	/nfs/dbraw/zinc/25/83/84/208258384.db2.gz	IQUWENUCKIIUBY-UHFFFAOYSA-N	0	0	364.409	4.057	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccccc2Cl)[nH]cnc1=NNc1ccccc1	ZINC000040624458	208259219	/nfs/dbraw/zinc/25/92/19/208259219.db2.gz	KWXAFKJIPCUUJL-UHFFFAOYSA-N	0	0	356.773	4.221	10	5		FIBERN
CC(C)CN(CC(C)C)c1ncnc(Nc2ccccc2F)c1[N+](=O)[O-]	ZINC000040613877	208259645	/nfs/dbraw/zinc/25/96/45/208259645.db2.gz	YKEJWIFFZFDMTC-UHFFFAOYSA-N	0	0	361.421	4.386	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1Nc1cc(F)ccc1F	ZINC000040649421	208260228	/nfs/dbraw/zinc/26/02/28/208260228.db2.gz	ZROHMSDPVOJRGC-UHFFFAOYSA-N	0	0	361.283	4.289	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1OC1CCCCC1	ZINC000040661110	208260560	/nfs/dbraw/zinc/26/05/60/208260560.db2.gz	VFASIZLQXKUGBK-UHFFFAOYSA-N	0	0	350.325	4.118	10	5		FIBERN
O=[N+]([O-])c1c(NCc2ccc(Cl)cc2)ncnc1Oc1ccccc1	ZINC000040657107	208260614	/nfs/dbraw/zinc/26/06/14/208260614.db2.gz	AHYOUPDGUCJEAL-UHFFFAOYSA-N	0	0	356.769	4.443	10	5		FIBERN
Cc1ccc(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1-c1ncco1	ZINC000194168124	1121225191	/nfs/dbraw/zinc/22/51/91/1121225191.db2.gz	HNHVKYPUGLYMSN-UHFFFAOYSA-N	0	0	354.322	4.079	10	5		FIBERN
COc1cc(Oc2ccc(I)cc2)ccc1[N+](=O)[O-]	ZINC000104250577	209259923	/nfs/dbraw/zinc/25/99/23/209259923.db2.gz	CFPGOBFCVACSBK-UHFFFAOYSA-N	0	0	371.130	4.000	10	5		FIBERN
O=[N+]([O-])c1ccc(OCc2noc(-c3ccccc3C(F)(F)F)n2)cc1	ZINC000034907079	208114684	/nfs/dbraw/zinc/11/46/84/208114684.db2.gz	XYYTXAKBXXXESI-UHFFFAOYSA-N	0	0	365.267	4.243	10	5		FIBERN
CCc1ccc(Nc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])cc1	ZINC000040587422	208257012	/nfs/dbraw/zinc/25/70/12/208257012.db2.gz	SWMARCBCGOVNPK-UHFFFAOYSA-N	0	0	360.377	4.030	10	5		FIBERN
CCc1ccccc1Nc1ncnc(Nc2ccccc2OC)c1[N+](=O)[O-]	ZINC000040587078	208257325	/nfs/dbraw/zinc/25/73/25/208257325.db2.gz	UUSBEFVVRQJEMH-UHFFFAOYSA-N	0	0	365.393	4.443	10	5		FIBERN
O=[N+]([O-])c1c(NCc2ccccc2Cl)ncnc1N1CCCCCC1	ZINC000040610148	208258669	/nfs/dbraw/zinc/25/86/69/208258669.db2.gz	RROVONULNBSUAK-UHFFFAOYSA-N	0	0	361.833	4.031	10	5		FIBERN
Cc1ccc(Cl)cc1Nc1ncnc(Oc2cccnc2)c1[N+](=O)[O-]	ZINC000040592946	208258844	/nfs/dbraw/zinc/25/88/44/208258844.db2.gz	MNYUUCCJZUFJPP-UHFFFAOYSA-N	0	0	357.757	4.278	10	5		FIBERN
Cc1ccc(Nc2[nH]cnc(=NNc3ccccc3)c2[N+](=O)[O-])c(C)c1	ZINC000040620947	208258850	/nfs/dbraw/zinc/25/88/50/208258850.db2.gz	JBPJCKJGKZJABB-UHFFFAOYSA-N	0	0	350.382	4.184	10	5		FIBERN
CCN(CC)c1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-]	ZINC000040608030	208259034	/nfs/dbraw/zinc/25/90/34/208259034.db2.gz	KHZHRZGEJOVDDJ-UHFFFAOYSA-N	0	0	356.213	4.281	10	5		FIBERN
CCN(CC)c1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-]	ZINC000040608028	208259163	/nfs/dbraw/zinc/25/91/63/208259163.db2.gz	DTSFMCOQEMTYPP-UHFFFAOYSA-N	0	0	356.213	4.281	10	5		FIBERN
O=[N+]([O-])c1c(NCc2ccccc2)ncnc1Nc1ccc(Cl)cc1	ZINC000040599359	208259670	/nfs/dbraw/zinc/25/96/70/208259670.db2.gz	ZVSSRXAPOPQXRW-UHFFFAOYSA-N	0	0	355.785	4.394	10	5		FIBERN
CCN(CC)c1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-]	ZINC000040591246	208259787	/nfs/dbraw/zinc/25/97/87/208259787.db2.gz	GSHHTZBJGYEZKD-UHFFFAOYSA-N	0	0	356.213	4.281	10	5		FIBERN
COc1ccccc1Oc1ncnc(Oc2ccc(C)cc2)c1[N+](=O)[O-]	ZINC000040659823	208260662	/nfs/dbraw/zinc/26/06/62/208260662.db2.gz	PNLNPJWKQJVMHZ-UHFFFAOYSA-N	0	0	353.334	4.286	10	5		FIBERN
Cc1ccccc1Nc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000040648079	208261394	/nfs/dbraw/zinc/26/13/94/208261394.db2.gz	YGFNVZODYQDUPR-UHFFFAOYSA-N	0	0	357.320	4.459	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(F)c(F)c1	ZINC000040649423	208262000	/nfs/dbraw/zinc/26/20/00/208262000.db2.gz	ZGFNNXPHGVVCIJ-UHFFFAOYSA-N	0	0	361.283	4.289	10	5		FIBERN
CC(C)(C(=O)OCc1ccccc1)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000091301820	518538985	/nfs/dbraw/zinc/53/89/85/518538985.db2.gz	SAZKCMIGEUQNTR-UHFFFAOYSA-N	0	0	356.353	4.236	10	5		FIBERN
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000176714386	1081135220	/nfs/dbraw/zinc/13/52/20/1081135220.db2.gz	GARPNLMKTNUZFY-DZGCQCFKSA-N	0	0	374.466	4.010	10	5		FIBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](c2nccs2)C1	ZINC000127791870	1085091453	/nfs/dbraw/zinc/09/14/53/1085091453.db2.gz	NJWHIXHUROJGNH-ZDUSSCGKSA-N	0	0	360.439	4.080	10	5		FIBERN
Cc1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)n1	ZINC000112115081	1085839931	/nfs/dbraw/zinc/83/99/31/1085839931.db2.gz	BNJIMRWBQRFSSZ-UHFFFAOYSA-N	0	0	365.842	4.033	10	5		FIBERN
C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CN(C)C(=O)N2	ZINC000186534580	1107599301	/nfs/dbraw/zinc/59/93/01/1107599301.db2.gz	IVBMMRVMPVYLKA-ZDUSSCGKSA-N	0	0	354.410	4.005	10	5		FIBERN
CCOc1ccc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1[N+](=O)[O-]	ZINC000186540858	1107600575	/nfs/dbraw/zinc/60/05/75/1107600575.db2.gz	JDXJDADTYIQCIF-GFCCVEGCSA-N	0	0	370.409	4.144	10	5		FIBERN
O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](c4nccs4)C3)co2)cc1	ZINC000153409871	1121433031	/nfs/dbraw/zinc/43/30/31/1121433031.db2.gz	RQWSXHAPGIKJHT-CQSZACIVSA-N	0	0	370.434	4.086	10	5		FIBERN
O=[N+]([O-])c1cc(Cl)ccc1CNCc1ccc(Br)s1	ZINC000050443557	209348103	/nfs/dbraw/zinc/34/81/03/209348103.db2.gz	ARXBLCJWNMUGBA-UHFFFAOYSA-N	0	0	361.648	4.362	10	5		FIBERN
Cc1cc(C(=O)N[C@@H](C)c2ccccc2Br)ccc1[N+](=O)[O-]	ZINC000007651563	206696290	/nfs/dbraw/zinc/69/62/90/206696290.db2.gz	JUGAUEJPJUQKNH-NSHDSACASA-N	0	0	363.211	4.157	10	5		FIBERN
CC(C)NC(=O)c1ccc2nc(Oc3ccc([N+](=O)[O-])cc3)ccc2c1	ZINC000034806188	206812848	/nfs/dbraw/zinc/81/28/48/206812848.db2.gz	WHOGVXKDGXLAEU-UHFFFAOYSA-N	0	0	351.362	4.074	10	5		FIBERN
Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-]	ZINC000005749145	207115219	/nfs/dbraw/zinc/11/52/19/207115219.db2.gz	XZFGYGIASBLNJO-UHFFFAOYSA-N	0	0	369.255	4.083	10	5		FIBERN
COc1ccc(OC)c(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000006952165	207181884	/nfs/dbraw/zinc/18/18/84/207181884.db2.gz	PPNFCUKJUJOOIN-UHFFFAOYSA-N	0	0	367.814	4.074	10	5		FIBERN
CCCOc1ccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1	ZINC000040978544	208278524	/nfs/dbraw/zinc/27/85/24/208278524.db2.gz	VZZXFZTUUYGBAH-UHFFFAOYSA-N	0	0	357.391	4.246	10	5		FIBERN
COc1cccc(Nc2ncnc(Nc3cccc(C)c3)c2[N+](=O)[O-])c1	ZINC000040586851	208256219	/nfs/dbraw/zinc/25/62/19/208256219.db2.gz	FDPHJKJEVBPMPD-UHFFFAOYSA-N	0	0	351.366	4.189	10	5		FIBERN
COc1ccc(C)cc1Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-]	ZINC000040584018	208257388	/nfs/dbraw/zinc/25/73/88/208257388.db2.gz	OIHHAFVUIVPGNG-UHFFFAOYSA-N	0	0	352.350	4.238	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCCC1	ZINC000040609046	208259101	/nfs/dbraw/zinc/25/91/01/208259101.db2.gz	LVPIHXUMJIEEDA-UHFFFAOYSA-N	0	0	354.197	4.035	10	5		FIBERN
COc1ccccc1Nc1ncnc(Nc2cccc(C)c2C)c1[N+](=O)[O-]	ZINC000040620526	208259614	/nfs/dbraw/zinc/25/96/14/208259614.db2.gz	XRRMTAYUQIVGTQ-UHFFFAOYSA-N	0	0	365.393	4.497	10	5		FIBERN
COc1ccc(Oc2ncnc(Oc3ccc(C)cc3)c2[N+](=O)[O-])cc1	ZINC000040659824	208260584	/nfs/dbraw/zinc/26/05/84/208260584.db2.gz	FJCUQGKTQIYXPD-UHFFFAOYSA-N	0	0	353.334	4.286	10	5		FIBERN
COc1cc(Oc2ccc(C(C)=O)cc2Cl)c([N+](=O)[O-])cc1OC	ZINC000120377814	568064799	/nfs/dbraw/zinc/06/47/99/568064799.db2.gz	YGOIDCJTYJCQFY-UHFFFAOYSA-N	0	0	351.742	4.260	10	5		FIBERN
O=C(c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2ccccc12)c1ccccc1	ZINC000006222803	570643621	/nfs/dbraw/zinc/64/36/21/570643621.db2.gz	QQEDQICOFJRQTB-UHFFFAOYSA-N	0	0	370.364	4.310	10	5		FIBERN
Cc1ccccc1N[C@H](c1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21	ZINC000003173224	571345222	/nfs/dbraw/zinc/34/52/22/571345222.db2.gz	WOGKUNFYOPHRKT-FQEVSTJZSA-N	0	0	359.389	4.307	10	5		FIBERN
C[C@@H](Nc1ccccc1I)c1ccccc1[N+](=O)[O-]	ZINC000020526314	209624375	/nfs/dbraw/zinc/62/43/75/209624375.db2.gz	WVMWFJMRKBQPHW-SNVBAGLBSA-N	0	0	368.174	4.373	10	5		FIBERN
CCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000005476034	207101540	/nfs/dbraw/zinc/10/15/40/207101540.db2.gz	LKJODRBRIIALNA-UHFFFAOYSA-N	0	0	365.183	4.008	10	5		FIBERN
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl	ZINC000006181146	207131885	/nfs/dbraw/zinc/13/18/85/207131885.db2.gz	OQSZQIVAQVEVDW-VOTSOKGWSA-N	0	0	368.172	4.469	10	5		FIBERN
O=[N+]([O-])c1ccc2ncnc(Nc3ccc(F)c(Br)c3)c2c1	ZINC000039030770	208207452	/nfs/dbraw/zinc/20/74/52/208207452.db2.gz	ZRCPOXSAYDMRLR-UHFFFAOYSA-N	0	0	363.146	4.183	10	5		FIBERN
Cc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	ZINC000040994614	208277752	/nfs/dbraw/zinc/27/77/52/208277752.db2.gz	YVPRKMXQBYGFHH-UHFFFAOYSA-N	0	0	363.211	4.237	10	5		FIBERN
CCCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000040978534	208279033	/nfs/dbraw/zinc/27/90/33/208279033.db2.gz	IEYBYQOAKHCRMC-UHFFFAOYSA-N	0	0	357.391	4.246	10	5		FIBERN
CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([N+](=O)[O-])c2)nc1C	ZINC000040442816	208254136	/nfs/dbraw/zinc/25/41/36/208254136.db2.gz	JWLCJIVSGRFHKH-UHFFFAOYSA-N	0	0	364.423	4.238	10	5		FIBERN
Cc1cc(C)cc(Nc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])c1	ZINC000040583129	208256492	/nfs/dbraw/zinc/25/64/92/208256492.db2.gz	RPGWUYVERUKZQR-UHFFFAOYSA-N	0	0	360.377	4.084	10	5		FIBERN
COc1ccc(C)cc1Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-]	ZINC000040583877	208256742	/nfs/dbraw/zinc/25/67/42/208256742.db2.gz	SNPDKHNKYAAILL-UHFFFAOYSA-N	0	0	365.393	4.058	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(F)c(Cl)c2)[nH]cnc1=NNc1ccccc1	ZINC000040624657	208258348	/nfs/dbraw/zinc/25/83/48/208258348.db2.gz	WSZMZDHWZHTXNF-UHFFFAOYSA-N	0	0	374.763	4.360	10	5		FIBERN
Cc1ccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])cc1Cl	ZINC000040590820	208258472	/nfs/dbraw/zinc/25/84/72/208258472.db2.gz	RCDRWCJGKOZZJB-UHFFFAOYSA-N	0	0	361.833	4.471	10	5		FIBERN
Cc1ccc(Nc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])c(C)c1	ZINC000040621410	208258477	/nfs/dbraw/zinc/25/84/77/208258477.db2.gz	ITYXHBGMBWWHGO-UHFFFAOYSA-N	0	0	360.377	4.084	10	5		FIBERN
O=[N+]([O-])c1c(NC2CCCC2)ncnc1NC12CC3CC(CC(C3)C1)C2	ZINC000040621804	208258968	/nfs/dbraw/zinc/25/89/68/208258968.db2.gz	WVMNVOIIQGNAKR-UHFFFAOYSA-N	0	0	357.458	4.120	10	5		FIBERN
CCNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-]	ZINC000040596509	208259906	/nfs/dbraw/zinc/25/99/06/208259906.db2.gz	ZXLZKWBITPFUQA-UHFFFAOYSA-N	0	0	361.711	4.232	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(F)c(Cl)c2)ncnc1NC1CCCC1	ZINC000040660238	208261199	/nfs/dbraw/zinc/26/11/99/208261199.db2.gz	KFUFZMORUORPSM-UHFFFAOYSA-N	0	0	351.769	4.275	10	5		FIBERN
COc1ccccc1Nc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-]	ZINC000040647994	208261601	/nfs/dbraw/zinc/26/16/01/208261601.db2.gz	OPHUKLWNNBTBON-UHFFFAOYSA-N	0	0	351.366	4.189	10	5		FIBERN
Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])nc1	ZINC000040648660	208261835	/nfs/dbraw/zinc/26/18/35/208261835.db2.gz	VQKBPUFGEMVHMW-UHFFFAOYSA-N	0	0	356.773	4.229	10	5		FIBERN
O=C(Nc1ccnc2c1cccc2C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000041057617	208280294	/nfs/dbraw/zinc/28/02/94/208280294.db2.gz	ZDXLZGUTVUCORT-UHFFFAOYSA-N	0	0	361.279	4.414	10	5		FIBERN
Cc1cc2c(cc1C)[N@@+](CCCS(=O)(=O)[O-])([C@@H](C)c1ccccc1)C=N2	ZINC000249705865	717165015	/nfs/dbraw/zinc/16/50/15/717165015.db2.gz	NFZGBMRYRAVYAQ-HTAPYJJXSA-O	0	0	373.498	4.323	10	5		FIBERN
Cc1csc(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)n1	ZINC000134766245	1080369854	/nfs/dbraw/zinc/36/98/54/1080369854.db2.gz	QMANJBJDUJMRCR-UHFFFAOYSA-N	0	0	365.842	4.033	10	5		FIBERN
O=[N+]([O-])c1cc(-c2ccccn2)nc(-c2cccc(-c3ccccn3)n2)c1	ZINC000238808840	209893108	/nfs/dbraw/zinc/89/31/08/209893108.db2.gz	CTUCCBMEGASPFQ-UHFFFAOYSA-N	0	0	355.357	4.176	10	5		FIBERN
Cc1cc([N+](=O)[O-])ccc1Oc1cccc(I)c1	ZINC000104178174	209259736	/nfs/dbraw/zinc/25/97/36/209259736.db2.gz	NSOFWMJWZOXISB-UHFFFAOYSA-N	0	0	355.131	4.300	10	5		FIBERN
O=[N+]([O-])c1cc(F)c(OCc2cc(Br)cs2)cc1F	ZINC000104141972	209258543	/nfs/dbraw/zinc/25/85/43/209258543.db2.gz	CKWSWTUQRWKEGZ-UHFFFAOYSA-N	0	0	350.140	4.276	10	5		FIBERN
COc1cccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)c1	ZINC000001791469	206895731	/nfs/dbraw/zinc/89/57/31/206895731.db2.gz	BSRQXMIGHISCTB-UHFFFAOYSA-N	0	0	369.402	4.288	10	5		FIBERN
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Oc1cccc2ccccc21	ZINC000040583462	208257630	/nfs/dbraw/zinc/25/76/30/208257630.db2.gz	BAJZJNLGJFRIQU-UHFFFAOYSA-N	0	0	359.345	4.469	10	5		FIBERN
CN(c1ccccc1)c1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-]	ZINC000040625427	208257888	/nfs/dbraw/zinc/25/78/88/208257888.db2.gz	XJJBUVQCLZAIDK-UHFFFAOYSA-N	0	0	369.812	4.418	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1cccc2cccnc21	ZINC000040626218	208258910	/nfs/dbraw/zinc/25/89/10/208258910.db2.gz	QELCIOBGVXGWIO-UHFFFAOYSA-N	0	0	358.361	4.420	10	5		FIBERN
Cc1ccc2cccc(Oc3ncnc(NC4CCCC4)c3[N+](=O)[O-])c2n1	ZINC000040618708	208259757	/nfs/dbraw/zinc/25/97/57/208259757.db2.gz	UMHFZWLSENFJJW-UHFFFAOYSA-N	0	0	365.393	4.388	10	5		FIBERN
O=C(Nc1ccnc2ccc(C(F)(F)F)cc21)c1ccc([N+](=O)[O-])cc1	ZINC000041057230	208280545	/nfs/dbraw/zinc/28/05/45/208280545.db2.gz	PPEGWBUULZQNMD-UHFFFAOYSA-N	0	0	361.279	4.414	10	5		FIBERN
O=[N+]([O-])c1cnc2c(Br)cc(Br)cc2c1Cl	ZINC000165876595	570980593	/nfs/dbraw/zinc/98/05/93/570980593.db2.gz	DHFONOHVGBHVJH-UHFFFAOYSA-N	0	0	366.396	4.321	10	5		FIBERN
Cc1nc([N+](=O)[O-])cn1[C@@H](C)C(=O)c1ccc(-c2ccccc2F)cc1	ZINC000001029909	571143833	/nfs/dbraw/zinc/14/38/33/571143833.db2.gz	AIGOGEOKCYZTJH-LBPRGKRZSA-N	0	0	353.353	4.350	10	5		FIBERN
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000176714367	1081135319	/nfs/dbraw/zinc/13/53/19/1081135319.db2.gz	GARPNLMKTNUZFY-UKRRQHHQSA-N	0	0	374.466	4.010	10	5		FIBERN
Cc1nc([C@@H]2CCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cs1	ZINC000189761368	1088624907	/nfs/dbraw/zinc/62/49/07/1088624907.db2.gz	CIDPWSXGGJQRJC-KRWDZBQOSA-N	0	0	370.434	4.352	10	5		FIBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN(c2cccs2)CC1	ZINC000151100130	1093904877	/nfs/dbraw/zinc/90/48/77/1093904877.db2.gz	GACQABAGRDJCIP-UHFFFAOYSA-N	0	0	374.466	4.064	10	5		FIBERN
O=[N+]([O-])c1ccc(Sc2ccc(I)cc2)cc1	ZINC000001593224	206889628	/nfs/dbraw/zinc/88/96/28/206889628.db2.gz	HLOAJYJIDPTHJT-UHFFFAOYSA-N	0	0	357.172	4.351	10	5		FIBERN
O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1	ZINC000005768273	207115775	/nfs/dbraw/zinc/11/57/75/207115775.db2.gz	RBQCLJOEBXFVTD-UHFFFAOYSA-N	0	0	355.575	4.263	10	5		FIBERN
Cc1nc(NC(=O)C2CCCCC2)sc1Cc1ccc([N+](=O)[O-])cc1	ZINC000036639531	208169691	/nfs/dbraw/zinc/16/96/91/208169691.db2.gz	DSXXTFQCVNSXKZ-UHFFFAOYSA-N	0	0	359.451	4.469	10	5		FIBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)CCc1ccc(C(C)(C)C)cc1	ZINC000040995667	208279167	/nfs/dbraw/zinc/27/91/67/208279167.db2.gz	MLNQYPWQZQRECY-UHFFFAOYSA-N	0	0	356.422	4.472	10	5		FIBERN
CCOc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc21	ZINC000040979881	208279305	/nfs/dbraw/zinc/27/93/05/208279305.db2.gz	XFKOTNCNGVPRBE-UHFFFAOYSA-N	0	0	357.391	4.164	10	5		FIBERN
CCc1ccccc1Nc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-]	ZINC000040587194	208257602	/nfs/dbraw/zinc/25/76/02/208257602.db2.gz	IEHWIIHLFGVTPD-UHFFFAOYSA-N	0	0	360.377	4.030	10	5		FIBERN
CN(c1ccccc1)c1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-]	ZINC000040625589	208258096	/nfs/dbraw/zinc/25/80/96/208258096.db2.gz	RPJGMOZQDCKOOI-UHFFFAOYSA-N	0	0	357.320	4.175	10	5		FIBERN
Cc1ccc(Nc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])cc1C	ZINC000040590323	208258821	/nfs/dbraw/zinc/25/88/21/208258821.db2.gz	GZPRKTGSNQYSBC-UHFFFAOYSA-N	0	0	360.377	4.084	10	5		FIBERN
O=[N+]([O-])c1c(NCc2ccccc2)ncnc1Nc1cccc(Cl)c1	ZINC000040599347	208259398	/nfs/dbraw/zinc/25/93/98/208259398.db2.gz	QISVXHXKSCFAFS-UHFFFAOYSA-N	0	0	355.785	4.394	10	5		FIBERN
CN(c1ccccc1)c1ncnc(Oc2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040618421	208259605	/nfs/dbraw/zinc/25/96/05/208259605.db2.gz	BQNRCBLDFDLRSG-UHFFFAOYSA-N	0	0	373.372	4.493	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(F)c(Cl)c2)ncnc1Oc1cccnc1	ZINC000040660221	208261609	/nfs/dbraw/zinc/26/16/09/208261609.db2.gz	REWRMQXRZJLFNG-UHFFFAOYSA-N	0	0	361.720	4.108	10	5		FIBERN
Cc1ccc(Nc2ncnc(Nc3cccc4ncccc43)c2[N+](=O)[O-])nc1	ZINC000040660009	208261806	/nfs/dbraw/zinc/26/18/06/208261806.db2.gz	RZTNLQAJYDVCFT-UHFFFAOYSA-N	0	0	373.376	4.124	10	5		FIBERN
Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1	ZINC000187006295	1079863984	/nfs/dbraw/zinc/86/39/84/1079863984.db2.gz	WNRFKJUUAGVMMI-WBMJQRKESA-N	0	0	374.466	4.276	10	5		FIBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCc2c(O)cccc21	ZINC000192318544	1099733069	/nfs/dbraw/zinc/73/30/69/1099733069.db2.gz	OLUQDSZGJIELNG-HNNXBMFYSA-N	0	0	355.394	4.116	10	5		FIBERN
O=[N+]([O-])c1ccc(SCc2ccc(Br)cc2)c2nonc21	ZINC000096933898	209163209	/nfs/dbraw/zinc/16/32/09/209163209.db2.gz	MYYCJHHLGMUDDX-UHFFFAOYSA-N	0	0	366.196	4.186	10	5		FIBERN
CCOc1ccc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000005713138	207113147	/nfs/dbraw/zinc/11/31/47/207113147.db2.gz	VZYRVDSLILNXNI-BJMVGYQFSA-N	0	0	369.402	4.255	10	5		FIBERN
O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(Br)cc1	ZINC000005799732	207118145	/nfs/dbraw/zinc/11/81/45/207118145.db2.gz	MVJXOKOCTAIVMB-UHFFFAOYSA-N	0	0	352.213	4.166	10	5		FIBERN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(OC(F)(F)F)c1	ZINC000031075108	208010954	/nfs/dbraw/zinc/01/09/54/208010954.db2.gz	IPOAOKYCADLZQC-BQYQJAHWSA-N	0	0	352.268	4.145	10	5		FIBERN
Cc1nc(NC(=O)c2ccc(F)cc2)sc1Cc1cccc([N+](=O)[O-])c1	ZINC000036639296	208170098	/nfs/dbraw/zinc/17/00/98/208170098.db2.gz	VVVRNWBTECLZIJ-UHFFFAOYSA-N	0	0	371.393	4.342	10	5		FIBERN
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1csc(Br)c1	ZINC000037844526	208188073	/nfs/dbraw/zinc/18/80/73/208188073.db2.gz	UQMLKAVNZPPOKJ-UHFFFAOYSA-N	0	0	361.604	4.325	10	5		FIBERN
CC(C)(C)Nc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-]	ZINC000040581934	208255942	/nfs/dbraw/zinc/25/59/42/208255942.db2.gz	VUTOZWJGXONPEJ-UHFFFAOYSA-N	0	0	367.203	4.150	10	5		FIBERN
CC(C)(C)Nc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040581874	208256699	/nfs/dbraw/zinc/25/66/99/208256699.db2.gz	HABGDHSZLNSWTL-UHFFFAOYSA-N	0	0	371.319	4.237	10	5		FIBERN
Cc1ccc2cccc(Nc3ncnc(Nc4cccnc4)c3[N+](=O)[O-])c2n1	ZINC000040626592	208258218	/nfs/dbraw/zinc/25/82/18/208258218.db2.gz	SHZRMJXXEKWGHQ-UHFFFAOYSA-N	0	0	373.376	4.124	10	5		FIBERN
Cc1ccc(Oc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])cc1C	ZINC000040661572	208260146	/nfs/dbraw/zinc/26/01/46/208260146.db2.gz	YOKLHKMFMMVTFG-UHFFFAOYSA-N	0	0	361.361	4.133	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1cccc2ncccc21	ZINC000040647933	208261861	/nfs/dbraw/zinc/26/18/61/208261861.db2.gz	YJIUNBGRBZCXGH-UHFFFAOYSA-N	0	0	358.361	4.420	10	5		FIBERN
C[C@H]1CCCN(c2ccc(C(=O)NC3CCCCCC3)cc2[N+](=O)[O-])C1	ZINC000004660661	132387022	/nfs/dbraw/zinc/38/70/22/132387022.db2.gz	ZCGKIEOVQSLYTP-HNNXBMFYSA-N	0	0	359.470	4.284	10	5		FIBERN
Cc1nc([N+](=O)[O-])cn1[C@H](C)C(=O)c1ccc(-c2ccccc2F)cc1	ZINC000001029913	571143644	/nfs/dbraw/zinc/14/36/44/571143644.db2.gz	AIGOGEOKCYZTJH-GFCCVEGCSA-N	0	0	353.353	4.350	10	5		FIBERN
O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000177922185	1088449343	/nfs/dbraw/zinc/44/93/43/1088449343.db2.gz	AAHUDFVEVPZPFA-SBUREZEXSA-N	0	0	360.457	4.155	10	5		FIBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O	ZINC000408065654	1090281017	/nfs/dbraw/zinc/28/10/17/1090281017.db2.gz	PJUUEWGCKQYYAC-CBGDNZLLSA-N	0	0	374.481	4.066	10	5		FIBERN
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1	ZINC000003561000	210077789	/nfs/dbraw/zinc/07/77/89/210077789.db2.gz	LSYSDNMHAUYXJZ-BJMVGYQFSA-N	0	0	352.268	4.145	10	5		FIBERN
CN(Cc1csc(Br)c1)c1nc(Cl)ccc1[N+](=O)[O-]	ZINC000042366823	211777910	/nfs/dbraw/zinc/77/79/10/211777910.db2.gz	JNYQXMSFXKQFJF-UHFFFAOYSA-N	0	0	362.636	4.104	10	5		FIBERN
O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)cc1	ZINC000003069525	210448492	/nfs/dbraw/zinc/44/84/92/210448492.db2.gz	XKZWCPYBUJOVKV-UHFFFAOYSA-N	0	0	366.483	4.251	10	5		FIBERN
COc1cc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(C)C	ZINC000001945526	210374523	/nfs/dbraw/zinc/37/45/23/210374523.db2.gz	CNODKIHDAXKEJK-JXMROGBWSA-N	0	0	370.405	4.351	10	5		FIBERN
CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1	ZINC000065000349	221163184	/nfs/dbraw/zinc/16/31/84/221163184.db2.gz	OCNXXSFMIQRKRJ-UHFFFAOYSA-N	0	0	363.211	4.480	10	5		FIBERN
COc1ccc(Oc2ccc(I)cc2)c([N+](=O)[O-])c1	ZINC000070136188	221331653	/nfs/dbraw/zinc/33/16/53/221331653.db2.gz	UPWBLKMTAIIZKA-UHFFFAOYSA-N	0	0	371.130	4.000	10	5		FIBERN
O=C1CC(c2cccnc2)=Nc2cc([N+](=O)[O-])ccc2N1Cc1ccccc1	ZINC000100898482	222256571	/nfs/dbraw/zinc/25/65/71/222256571.db2.gz	KQQYGDOPDDIJMS-UHFFFAOYSA-N	0	0	372.384	4.048	10	5		FIBERN
C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1Br	ZINC000105386292	222367439	/nfs/dbraw/zinc/36/74/39/222367439.db2.gz	DJFWVVHCHUNXIG-SNVBAGLBSA-N	0	0	361.199	4.178	10	5		FIBERN
CN(C)c1ccc(Nc2cc3nc4ccc(N(C)C)cc4nc3cc2N)cc1	ZINC000004786911	570606644	/nfs/dbraw/zinc/60/66/44/570606644.db2.gz	UEXSLTSNOSBPBX-UHFFFAOYSA-N	0	0	372.476	4.241	10	5		FIBERN
Cc1cc2c(cc1C)[N@@+](CCCS(=O)(=O)[O-])([C@H](C)c1ccccc1)C=N2	ZINC000249705869	717165167	/nfs/dbraw/zinc/16/51/67/717165167.db2.gz	NFZGBMRYRAVYAQ-VGOFRKELSA-O	0	0	373.498	4.323	10	5		FIBERN
O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000177922153	1088449225	/nfs/dbraw/zinc/44/92/25/1088449225.db2.gz	AAHUDFVEVPZPFA-HXOBKFHXSA-N	0	0	360.457	4.155	10	5		FIBERN
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](c2nccs2)C1	ZINC000191388408	1102163389	/nfs/dbraw/zinc/16/33/89/1102163389.db2.gz	XIZVYWFGQPOENR-ZDUSSCGKSA-N	0	0	360.439	4.080	10	5		FIBERN
O=C(CCc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000040995164	211768182	/nfs/dbraw/zinc/76/81/82/211768182.db2.gz	KXVSYXAXBHYKLH-UHFFFAOYSA-N	0	0	361.810	4.429	10	5		FIBERN
C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000038012428	211347992	/nfs/dbraw/zinc/34/79/92/211347992.db2.gz	DKQSHJXHPIKXDU-SNVBAGLBSA-N	0	0	353.191	4.347	10	5		FIBERN
O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cc(Br)ccc1Cl	ZINC000037976160	211325988	/nfs/dbraw/zinc/32/59/88/211325988.db2.gz	PSFZMAZJQVQDJG-UHFFFAOYSA-N	0	0	373.565	4.402	10	5		FIBERN
O=[N+]([O-])/C(=C(\I)c1ccccc1)c1ccccc1	ZINC000002308646	210390876	/nfs/dbraw/zinc/39/08/76/210390876.db2.gz	YVRCGTWSYMCHLM-YPKPFQOOSA-N	0	0	351.143	4.224	10	5		FIBERN
CCc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1	ZINC000065000315	221163153	/nfs/dbraw/zinc/16/31/53/221163153.db2.gz	NBLMNQHSEZACNJ-UHFFFAOYSA-N	0	0	363.211	4.480	10	5		FIBERN
Cc1ccc(N[C@@H](c2cccc([N+](=O)[O-])c2)n2nnc3ccccc32)cc1	ZINC000005337569	263340186	/nfs/dbraw/zinc/34/01/86/263340186.db2.gz	VFEHYXAFLBNTHX-HXUWFJFHSA-N	0	0	359.389	4.307	10	5		FIBERN
Cc1ccc(C[N@@+]2(CCCS(=O)(=O)[O-])C=Nc3cc(C)c(C)cc32)cc1	ZINC000249697211	717164506	/nfs/dbraw/zinc/16/45/06/717164506.db2.gz	AMUHXSQNOMGGFI-QFIPXVFZSA-O	0	0	373.498	4.071	10	5		FIBERN
Cc1csc(C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)n1	ZINC000136912437	1086359516	/nfs/dbraw/zinc/35/95/16/1086359516.db2.gz	IOJZNOJAIYXXSH-UHFFFAOYSA-N	0	0	365.842	4.033	10	5		FIBERN
O=C(c1cc2ccccc2c2cccnc12)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000177922133	1088449846	/nfs/dbraw/zinc/44/98/46/1088449846.db2.gz	AAHUDFVEVPZPFA-UZUQRXQVSA-N	0	0	360.457	4.155	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(F)cc2F)ncnc1N1CCc2ccccc21	ZINC000040586236	211749191	/nfs/dbraw/zinc/74/91/91/211749191.db2.gz	LYGFICGNEVSGRZ-UHFFFAOYSA-N	0	0	369.331	4.101	10	5		FIBERN
C[C@@H](NCc1cc(F)ccc1Br)c1ccccc1[N+](=O)[O-]	ZINC000038038908	211365582	/nfs/dbraw/zinc/36/55/82/211365582.db2.gz	SYZVTGHQAXGMST-SNVBAGLBSA-N	0	0	353.191	4.347	10	5		FIBERN
Cc1csc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000021143170	211309060	/nfs/dbraw/zinc/30/90/60/211309060.db2.gz	BESLWTYXAFOYQM-UHFFFAOYSA-N	0	0	355.375	4.404	10	5		FIBERN
Cc1c(C(=O)N[C@@H](C)c2ccccc2Br)cccc1[N+](=O)[O-]	ZINC000017964630	211188246	/nfs/dbraw/zinc/18/82/46/211188246.db2.gz	CADVTMJRAZUJEI-NSHDSACASA-N	0	0	363.211	4.157	10	5		FIBERN
Cc1c(C(=O)N[C@H](C)c2ccccc2Br)cccc1[N+](=O)[O-]	ZINC000017964628	211188074	/nfs/dbraw/zinc/18/80/74/211188074.db2.gz	CADVTMJRAZUJEI-LLVKDONJSA-N	0	0	363.211	4.157	10	5		FIBERN
CCn1cc([C@@H]2CC(c3ccc(C)o3)=NN2c2ccc([N+](=O)[O-])cc2)cn1	ZINC000017075054	211177170	/nfs/dbraw/zinc/17/71/70/211177170.db2.gz	ZKWIDPQLSLXPGQ-SFHVURJKSA-N	0	0	365.393	4.068	10	5		FIBERN
Cc1ccccc1N[C@@H](c1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21	ZINC000003173221	210452598	/nfs/dbraw/zinc/45/25/98/210452598.db2.gz	WOGKUNFYOPHRKT-HXUWFJFHSA-N	0	0	359.389	4.307	10	5		FIBERN
O=C(COc1cc(F)ccc1[N+](=O)[O-])c1cc(Cl)sc1Cl	ZINC000021199942	220355134	/nfs/dbraw/zinc/35/51/34/220355134.db2.gz	ZIXIXCJGYKRLPL-UHFFFAOYSA-N	0	0	350.154	4.364	10	5		FIBERN
CC(=O)c1ccc(N2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1	ZINC000049980283	132302349	/nfs/dbraw/zinc/30/23/49/132302349.db2.gz	QFYVKHIRWMTVEX-UHFFFAOYSA-N	0	0	357.385	4.017	10	5		FIBERN
CC(C)(C)OC(=O)N(Cc1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C	ZINC000095756461	221970181	/nfs/dbraw/zinc/97/01/81/221970181.db2.gz	LDHBVRODBJWANO-UHFFFAOYSA-N	0	0	370.377	4.406	10	5		FIBERN
Cc1cc(Nc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1Br	ZINC000098181364	222230313	/nfs/dbraw/zinc/23/03/13/222230313.db2.gz	IHFVUYAOKYZLMZ-UHFFFAOYSA-N	0	0	350.216	4.475	10	5		FIBERN
C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1	ZINC000120377268	568110562	/nfs/dbraw/zinc/11/05/62/568110562.db2.gz	RRCQKLMSLOVHJA-NSHDSACASA-N	0	0	358.785	4.149	10	5		FIBERN
O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ncc(-c3ccccc3)cn1)CCC2	ZINC000193289615	1120671127	/nfs/dbraw/zinc/67/11/27/1120671127.db2.gz	OLSVICWQPWERMT-HXUWFJFHSA-N	0	0	360.417	4.219	10	5		FIBERN
Cc1ccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])cc1Cl	ZINC000040591114	211749681	/nfs/dbraw/zinc/74/96/81/211749681.db2.gz	PBBVWZBZBHVKEQ-UHFFFAOYSA-N	0	0	357.757	4.278	10	5		FIBERN
COc1ccccc1Oc1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-]	ZINC000040649032	211750526	/nfs/dbraw/zinc/75/05/26/211750526.db2.gz	NKONNYDNMGLCFQ-UHFFFAOYSA-N	0	0	352.350	4.238	10	5		FIBERN
CCN(c1ccccc1)c1ncnc(Nc2ccccc2OC)c1[N+](=O)[O-]	ZINC000040573401	211748685	/nfs/dbraw/zinc/74/86/85/211748685.db2.gz	MGXMYQXXIWONEF-UHFFFAOYSA-N	0	0	365.393	4.295	10	5		FIBERN
Cc1csc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1	ZINC000021143173	211308895	/nfs/dbraw/zinc/30/88/95/211308895.db2.gz	CWCFZAKKBGJUFM-UHFFFAOYSA-N	0	0	355.375	4.404	10	5		FIBERN
COc1cc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC(C)C	ZINC000015409319	211129590	/nfs/dbraw/zinc/12/95/90/211129590.db2.gz	LXYUJGJWMZLARY-JXMROGBWSA-N	0	0	370.405	4.351	10	5		FIBERN
C[C@@H](CCc1ccccc1)N1C[C@@H](c2cccc([N+](=O)[O-])c2)OC1=S	ZINC000001301543	210340463	/nfs/dbraw/zinc/34/04/63/210340463.db2.gz	LLWMJQVSMPERID-KSSFIOAISA-N	0	0	356.447	4.274	10	5		FIBERN
O=[N+]([O-])c1cnc2c(I)ccc(Cl)c2c1Cl	ZINC000584881842	570660878	/nfs/dbraw/zinc/66/08/78/570660878.db2.gz	DWLDAXBLNRMCST-UHFFFAOYSA-N	0	0	368.945	4.054	10	5		FIBERN
CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000109052957	1085585662	/nfs/dbraw/zinc/58/56/62/1085585662.db2.gz	KHAZKDWXCWGYHM-AWEZNQCLSA-N	0	0	373.478	4.369	10	5		FIBERN
COc1ccccc1Nc1ncnc(Nc2ccc(C)c(C)c2)c1[N+](=O)[O-]	ZINC000040590089	211750107	/nfs/dbraw/zinc/75/01/07/211750107.db2.gz	DDYYGDPXRUYCQG-UHFFFAOYSA-N	0	0	365.393	4.497	10	5		FIBERN
Cc1ccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-]	ZINC000015629535	211133860	/nfs/dbraw/zinc/13/38/60/211133860.db2.gz	ZAOCLRXZPBQVFJ-UHFFFAOYSA-N	0	0	371.393	4.347	10	5		FIBERN
O=C1c2cccnc2-c2nccc3c4cc(Br)ccc4nc1c32	ZINC000001857525	210372637	/nfs/dbraw/zinc/37/26/37/210372637.db2.gz	IEMDEAMHQYKMCM-UHFFFAOYSA-N	0	0	362.186	4.152	10	5		FIBERN
Cc1oc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1Br	ZINC000105975896	222379803	/nfs/dbraw/zinc/37/98/03/222379803.db2.gz	KMRBGVPXCTWCSM-UHFFFAOYSA-N	0	0	353.172	4.128	10	5		FIBERN
O=[N+]([O-])c1ccc(Br)cc1NC(=S)Nc1ccccc1	ZINC000583653014	570811703	/nfs/dbraw/zinc/81/17/03/570811703.db2.gz	VEADCWIJTGWSHX-UHFFFAOYSA-N	0	0	352.213	4.166	10	5		FIBERN
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nccs2)C1	ZINC000119977414	1084751216	/nfs/dbraw/zinc/75/12/16/1084751216.db2.gz	BFWFPRRQGQGNOQ-CYBMUJFWSA-N	0	0	360.439	4.080	10	5		FIBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O	ZINC000408065655	1090281518	/nfs/dbraw/zinc/28/15/18/1090281518.db2.gz	PJUUEWGCKQYYAC-CSODHUTKSA-N	0	0	374.481	4.066	10	5		FIBERN
COc1cccc(Nc2ncnc(Nc3ccc(C)cc3)c2[N+](=O)[O-])c1	ZINC000040586855	211749883	/nfs/dbraw/zinc/74/98/83/211749883.db2.gz	XBMPYZXSCVRYEO-UHFFFAOYSA-N	0	0	351.366	4.189	10	5		FIBERN
COc1cccc(Nc2ncnc(Nc3ccc(C)cc3C)c2[N+](=O)[O-])c1	ZINC000040586810	211749124	/nfs/dbraw/zinc/74/91/24/211749124.db2.gz	YJBDFVIVWHMWEC-UHFFFAOYSA-N	0	0	365.393	4.497	10	5		FIBERN
CC(C)CCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-]	ZINC000040621742	211751063	/nfs/dbraw/zinc/75/10/63/211751063.db2.gz	FVXPKKMWLMYDSD-UHFFFAOYSA-N	0	0	359.474	4.224	10	5		FIBERN
CCc1ccc(Oc2ncnc(Nc3ccccc3OC)c2[N+](=O)[O-])cc1	ZINC000040648452	211750741	/nfs/dbraw/zinc/75/07/41/211750741.db2.gz	HMSRVDNBLLVLIX-UHFFFAOYSA-N	0	0	366.377	4.492	10	5		FIBERN
CCN(c1ccccc1)c1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000040573567	211748489	/nfs/dbraw/zinc/74/84/89/211748489.db2.gz	INKLUKFBLCBRQX-UHFFFAOYSA-N	0	0	367.384	4.294	10	5		FIBERN
C[C@H](c1cccs1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000037979231	211327904	/nfs/dbraw/zinc/32/79/04/211327904.db2.gz	WLQUAGDCQKFUSO-SECBINFHSA-N	0	0	369.240	4.252	10	5		FIBERN
O=C(Nc1nc2c(s1)CCCC2)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000019165395	211204007	/nfs/dbraw/zinc/20/40/07/211204007.db2.gz	XIROHIFFUGFQBP-UHFFFAOYSA-N	0	0	369.402	4.442	10	5		FIBERN
COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C)cc1C(C)(C)C	ZINC000005542160	210627007	/nfs/dbraw/zinc/62/70/07/210627007.db2.gz	VBRJIPPZJMWWMT-UHFFFAOYSA-N	0	0	372.421	4.227	10	5		FIBERN
O=[N+]([O-])c1cccc(Cl)c1CNCc1ccc(Br)s1	ZINC000104314613	222355978	/nfs/dbraw/zinc/35/59/78/222355978.db2.gz	MTKQQPNZLJGVQG-UHFFFAOYSA-N	0	0	361.648	4.362	10	5		FIBERN
Cc1ccc(N[C@H](c2cccc([N+](=O)[O-])c2)n2nnc3ccccc32)cc1	ZINC000005337604	263340517	/nfs/dbraw/zinc/34/05/17/263340517.db2.gz	VFEHYXAFLBNTHX-FQEVSTJZSA-N	0	0	359.389	4.307	10	5		FIBERN
CCOC(=O)c1sc2nc(C)nc(Nc3cccc([N+](=O)[O-])c3)c2c1C	ZINC000002500383	571337542	/nfs/dbraw/zinc/33/75/42/571337542.db2.gz	STFZDWUHVGSOFA-UHFFFAOYSA-N	0	0	372.406	4.137	10	5		FIBERN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nccs2)C1	ZINC000114777707	1109303075	/nfs/dbraw/zinc/30/30/75/1109303075.db2.gz	KIQBZPFDKATPBF-JTQLQIEISA-N	0	0	366.830	4.116	10	5		FIBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(Cl)ccc1Cl	ZINC000005750056	210084208	/nfs/dbraw/zinc/08/42/08/210084208.db2.gz	FCPQWOIHAQGELO-UHFFFAOYSA-N	0	0	355.177	4.228	10	5		FIBERN
CCN(CC)c1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-]	ZINC000040587947	211749932	/nfs/dbraw/zinc/74/99/32/211749932.db2.gz	QXZYVOLSFDGZTD-UHFFFAOYSA-N	0	0	356.213	4.281	10	5		FIBERN
COc1ccc(Nc2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])cc1	ZINC000040648004	211751094	/nfs/dbraw/zinc/75/10/94/211751094.db2.gz	HFQPLQFYUDZSJX-UHFFFAOYSA-N	0	0	351.366	4.189	10	5		FIBERN
COc1ccccc1Nc1ncnc(NC2CCCCCC2)c1[N+](=O)[O-]	ZINC000040648442	211750922	/nfs/dbraw/zinc/75/09/22/211750922.db2.gz	NSVOBVVOGSXBBD-UHFFFAOYSA-N	0	0	357.414	4.272	10	5		FIBERN
Cc1cccc(C(=O)N[C@@H](C)c2ccccc2Br)c1[N+](=O)[O-]	ZINC000014425642	211092648	/nfs/dbraw/zinc/09/26/48/211092648.db2.gz	YYGYXVWKUZJGIS-NSHDSACASA-N	0	0	363.211	4.157	10	5		FIBERN
O=[N+]([O-])c1c(NC2CCCCCC2)ncnc1N1CCc2ccccc2C1	ZINC000040647717	132948360	/nfs/dbraw/zinc/94/83/60/132948360.db2.gz	WKTBGMIGYQWQOD-UHFFFAOYSA-N	0	0	367.453	4.082	10	5		FIBERN
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1csc(C)n1	ZINC000187111359	1079907448	/nfs/dbraw/zinc/90/74/48/1079907448.db2.gz	IQYZXIZJRPUALQ-YJBOKZPZSA-N	0	0	373.478	4.292	10	5		FIBERN
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000176714333	1081135264	/nfs/dbraw/zinc/13/52/64/1081135264.db2.gz	GARPNLMKTNUZFY-HIFRSBDPSA-N	0	0	374.466	4.010	10	5		FIBERN
CN1Cc2cc(N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)ccc2NC1=O	ZINC000193304263	1120673479	/nfs/dbraw/zinc/67/34/79/1120673479.db2.gz	SFHVHLFZEBUOEZ-GOSISDBHSA-N	0	0	352.394	4.062	10	5		FIBERN
COc1ccccc1Oc1ncnc(Nc2cccc(C)c2)c1[N+](=O)[O-]	ZINC000040648577	211752039	/nfs/dbraw/zinc/75/20/39/211752039.db2.gz	XSRVDKPTVZJRPQ-UHFFFAOYSA-N	0	0	352.350	4.238	10	5		FIBERN
C[P@@](=O)(OCC(=O)c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1	ZINC000005764888	210639292	/nfs/dbraw/zinc/63/92/92/210639292.db2.gz	CNYZNXDOUMMOLA-XMMPIXPASA-N	0	0	369.697	4.349	10	5		FIBERN
CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000005475717	570660407	/nfs/dbraw/zinc/66/04/07/570660407.db2.gz	BYMKYWFHOCGXFH-UHFFFAOYSA-N	0	0	372.274	4.404	10	5		FIBERN
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCc2c(O)cccc21	ZINC000192318538	1099733644	/nfs/dbraw/zinc/73/36/44/1099733644.db2.gz	OLUQDSZGJIELNG-OAHLLOKOSA-N	0	0	355.394	4.116	10	5		FIBERN
Cc1coc(-c2cc(NCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2C)n1	ZINC000194170294	1121225120	/nfs/dbraw/zinc/22/51/20/1121225120.db2.gz	QRPYEWHSIDNZHK-UHFFFAOYSA-N	0	0	368.349	4.387	10	5		FIBERN
Cc1nc(NC(=O)c2ccc(F)cc2)sc1Cc1ccc([N+](=O)[O-])cc1	ZINC000036639297	220824559	/nfs/dbraw/zinc/82/45/59/220824559.db2.gz	HCCIPWPNQREZEZ-UHFFFAOYSA-N	0	0	371.393	4.342	10	5		FIBERN
O=[N+]([O-])c1c(Oc2cccc3cccnc32)ncnc1N1CCCCCC1	ZINC000040610001	220912623	/nfs/dbraw/zinc/91/26/23/220912623.db2.gz	ZRXHKTCMCSQYMI-UHFFFAOYSA-N	0	0	365.393	4.106	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccccc2C(F)(F)F)ncnc1N1CCCCC1	ZINC000040588623	132946994	/nfs/dbraw/zinc/94/69/94/132946994.db2.gz	WZIJZMYTUCPXDM-UHFFFAOYSA-N	0	0	367.331	4.138	10	5		FIBERN
Cc1cc2nc(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)[nH]c2cc1C	ZINC000057351723	263412355	/nfs/dbraw/zinc/41/23/55/263412355.db2.gz	KFUJQLFSXTYESL-UHFFFAOYSA-N	0	0	353.407	4.257	10	5		FIBERN
c1ccc([C@@H]2C=CC=c3nc4c(c5nc6ccccc6c-5c32)=CC=CC4)cc1	ZINC000642880863	571291437	/nfs/dbraw/zinc/29/14/37/571291437.db2.gz	MLRCWOSBVRQQIP-SFHVURJKSA-N	0	0	358.444	4.110	10	5		FIBERN
Cc1ccc(N[C@H](c2ccc([N+](=O)[O-])cc2)n2nnc3ccccc32)cc1	ZINC000003024663	571343532	/nfs/dbraw/zinc/34/35/32/571343532.db2.gz	KSEYYFULQFRSFP-FQEVSTJZSA-N	0	0	359.389	4.307	10	5		FIBERN
Cc1ccc(N[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnc3ccccc32)cc1	ZINC000003024660	571343533	/nfs/dbraw/zinc/34/35/33/571343533.db2.gz	KSEYYFULQFRSFP-HXUWFJFHSA-N	0	0	359.389	4.307	10	5		FIBERN
Cc1csc(C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)n1	ZINC000102646528	1089939804	/nfs/dbraw/zinc/93/98/04/1089939804.db2.gz	MKISHXXCAJBXHF-UHFFFAOYSA-N	0	0	365.842	4.033	10	5		FIBERN
O=C(CCc1cccc(Cl)c1)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000001285125	219394062	/nfs/dbraw/zinc/39/40/62/219394062.db2.gz	ROHWKRCMDPSVOV-UHFFFAOYSA-N	0	0	361.810	4.429	10	5		FIBERN
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)cc1	ZINC000005109304	219651722	/nfs/dbraw/zinc/65/17/22/219651722.db2.gz	GAVMQKHLNXVYRV-SNVBAGLBSA-N	0	0	350.168	4.008	10	5		FIBERN
O=C(COc1ccccc1)n1c2ccccc2nc1-c1cccc([N+](=O)[O-])c1	ZINC000013233923	220062166	/nfs/dbraw/zinc/06/21/66/220062166.db2.gz	PQWUBJDXCXJLOC-UHFFFAOYSA-N	0	0	373.368	4.331	10	5		FIBERN
O=[N+]([O-])c1ccc(Cl)c(NC(=S)Nc2ccc(F)c(F)c2F)c1	ZINC000016221303	220180880	/nfs/dbraw/zinc/18/08/80/220180880.db2.gz	RFWTXLGVWARMEX-UHFFFAOYSA-N	0	0	361.732	4.474	10	5		FIBERN
CC(C)(C)Nc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040581876	220911332	/nfs/dbraw/zinc/91/13/32/220911332.db2.gz	QTRPDGSZOFFJBF-UHFFFAOYSA-N	0	0	355.320	4.358	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(Cl)c(Cl)c2)ncnc1N1CCCCC1	ZINC000040591252	132946863	/nfs/dbraw/zinc/94/68/63/132946863.db2.gz	SAFUHDJNBIXJCG-UHFFFAOYSA-N	0	0	368.224	4.426	10	5		FIBERN
Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000176714351	1081135427	/nfs/dbraw/zinc/13/54/27/1081135427.db2.gz	GARPNLMKTNUZFY-ZFWWWQNUSA-N	0	0	374.466	4.010	10	5		FIBERN
CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncon2)c1	ZINC000179349622	1083376275	/nfs/dbraw/zinc/37/62/75/1083376275.db2.gz	ATCDJMUBIMACDS-UHFFFAOYSA-N	0	0	370.390	4.009	10	5		FIBERN
Cc1coc(-c2cccc(NCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)n1	ZINC000194167784	1121225621	/nfs/dbraw/zinc/22/56/21/1121225621.db2.gz	JAUYGUSAMDDDDP-UHFFFAOYSA-N	0	0	354.322	4.079	10	5		FIBERN
CSc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000015967784	220173032	/nfs/dbraw/zinc/17/30/32/220173032.db2.gz	MPULJPLBKQEPHQ-UHFFFAOYSA-N	0	0	350.827	4.242	10	5		FIBERN
Cc1ccc2cccc(Oc3ncnc(NC(C)(C)C)c3[N+](=O)[O-])c2n1	ZINC000040581615	220910106	/nfs/dbraw/zinc/91/01/06/220910106.db2.gz	OGTWTZUZSVCLCG-UHFFFAOYSA-N	0	0	353.382	4.244	10	5		FIBERN
C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1Br	ZINC000105386289	222368464	/nfs/dbraw/zinc/36/84/64/222368464.db2.gz	DJFWVVHCHUNXIG-JTQLQIEISA-N	0	0	361.199	4.178	10	5		FIBERN
C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000038012427	263399245	/nfs/dbraw/zinc/39/92/45/263399245.db2.gz	DKQSHJXHPIKXDU-JTQLQIEISA-N	0	0	353.191	4.347	10	5		FIBERN
O=[N+]([O-])c1cnc2cc(Br)cc(Br)c2c1Cl	ZINC000584882279	570661535	/nfs/dbraw/zinc/66/15/35/570661535.db2.gz	YVXYVRLBMWMOQK-UHFFFAOYSA-N	0	0	366.396	4.321	10	5		FIBERN
CC(C)c1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000189696890	1088604593	/nfs/dbraw/zinc/60/45/93/1088604593.db2.gz	HVFHVQQWKYVZPQ-AWEZNQCLSA-N	0	0	359.451	4.195	10	5		FIBERN
C[C@H](CCc1ccccc1)N1C[C@@H](c2cccc([N+](=O)[O-])c2)OC1=S	ZINC000001301544	219394376	/nfs/dbraw/zinc/39/43/76/219394376.db2.gz	LLWMJQVSMPERID-KDOFPFPSSA-N	0	0	356.447	4.274	10	5		FIBERN
O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)ncnc1N1CCc2ccccc21	ZINC000040586157	220910094	/nfs/dbraw/zinc/91/00/94/220910094.db2.gz	YIAAKIYFTDDWOJ-UHFFFAOYSA-N	0	0	367.796	4.476	10	5		FIBERN
O=[N+]([O-])c1c(Sc2ccccc2)ncnc1N1CCc2ccccc21	ZINC000040586167	220910855	/nfs/dbraw/zinc/91/08/55/220910855.db2.gz	LPFAFPPFVIHIPD-UHFFFAOYSA-N	0	0	350.403	4.230	10	5		FIBERN
O=[N+]([O-])c1c(Cl)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000040571472	220911386	/nfs/dbraw/zinc/91/13/86/220911386.db2.gz	LKKKYQKCTBYAQE-UHFFFAOYSA-N	0	0	353.087	4.454	10	5		FIBERN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O	ZINC000408065656	1090282453	/nfs/dbraw/zinc/28/24/53/1090282453.db2.gz	PJUUEWGCKQYYAC-FVJLSDCUSA-N	0	0	374.481	4.066	10	5		FIBERN
O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](c4nccs4)C3)co2)cc1	ZINC000153409744	1121431386	/nfs/dbraw/zinc/43/13/86/1121431386.db2.gz	RQWSXHAPGIKJHT-AWEZNQCLSA-N	0	0	370.434	4.086	10	5		FIBERN
Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000016087256	220177727	/nfs/dbraw/zinc/17/77/27/220177727.db2.gz	MHCODRJGVYBWRJ-AWEZNQCLSA-N	0	0	370.430	4.096	10	5		FIBERN
COc1ccc(C)cc1Nc1ncnc(NC2CCCCC2)c1[N+](=O)[O-]	ZINC000040583875	220910805	/nfs/dbraw/zinc/91/08/05/220910805.db2.gz	SKDDRVPSYLHKHK-UHFFFAOYSA-N	0	0	357.414	4.190	10	5		FIBERN
Cc1ccc(CNc2ncnc(Nc3ccc(F)cc3)c2[N+](=O)[O-])cc1	ZINC000040649359	220914630	/nfs/dbraw/zinc/91/46/30/220914630.db2.gz	ACMBHOLXZZAHCC-UHFFFAOYSA-N	0	0	353.357	4.188	10	5		FIBERN
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](c2nccs2)C1	ZINC000191388421	1102164079	/nfs/dbraw/zinc/16/40/79/1102164079.db2.gz	XIZVYWFGQPOENR-CYBMUJFWSA-N	0	0	360.439	4.080	10	5		FIBERN
O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ncc(-c3ccccc3)cn1)CCC2	ZINC000193289625	1120670419	/nfs/dbraw/zinc/67/04/19/1120670419.db2.gz	OLSVICWQPWERMT-FQEVSTJZSA-N	0	0	360.417	4.219	10	5		FIBERN
O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000000823221	219326604	/nfs/dbraw/zinc/32/66/04/219326604.db2.gz	QPKRYAXWTGNEHO-UHFFFAOYSA-N	0	0	361.357	4.099	10	5		FIBERN
COc1ccc(S(=O)(=O)Nc2ccnc3c4ccccc4ccc23)cc1	ZINC000040384337	220903304	/nfs/dbraw/zinc/90/33/04/220903304.db2.gz	BXUVISTWJAVGMM-UHFFFAOYSA-N	0	0	364.426	4.197	10	5		FIBERN
CC(C)(C)Nc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-]	ZINC000040581728	220911216	/nfs/dbraw/zinc/91/12/16/220911216.db2.gz	RBAJROKHAPIRKV-UHFFFAOYSA-N	0	0	366.219	4.101	10	5		FIBERN
Cc1nc(C)c(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)s1	ZINC000054648032	221053787	/nfs/dbraw/zinc/05/37/87/221053787.db2.gz	AWDLFJYOJQIFNB-UHFFFAOYSA-N	0	0	360.420	4.044	10	5		FIBERN
CCc1ccc2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c(C)c2c1	ZINC000054644854	221054415	/nfs/dbraw/zinc/05/44/15/221054415.db2.gz	XWVLXDVUDAUTHP-UHFFFAOYSA-N	0	0	354.362	4.473	10	5		FIBERN
O=C(Nc1ccc(OCc2ccc(F)cc2)cc1[N+](=O)[O-])c1ccco1	ZINC000005514025	570628886	/nfs/dbraw/zinc/62/88/86/570628886.db2.gz	ZQBDLDPWTQJLNE-UHFFFAOYSA-N	0	0	356.309	4.158	10	5		FIBERN
CSc1cccc(C(=O)N2CCC[C@H]2c2csc(C)n2)c1[N+](=O)[O-]	ZINC000187142189	1079913997	/nfs/dbraw/zinc/91/39/97/1079913997.db2.gz	ALHHORQMSKCXLG-ZDUSSCGKSA-N	0	0	363.464	4.059	10	5		FIBERN
Cc1cccc2c(C)cc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc12	ZINC000005582880	219690552	/nfs/dbraw/zinc/69/05/52/219690552.db2.gz	ZHZBZSGXRIWCRD-UHFFFAOYSA-N	0	0	367.430	4.491	10	5		FIBERN
CCn1cc([C@H]2CC(c3ccc(C)o3)=NN2c2ccc([N+](=O)[O-])cc2)cn1	ZINC000017075055	220204266	/nfs/dbraw/zinc/20/42/66/220204266.db2.gz	ZKWIDPQLSLXPGQ-GOSISDBHSA-N	0	0	365.393	4.068	10	5		FIBERN
Cc1cccc(Nc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])c1C	ZINC000040586110	220910609	/nfs/dbraw/zinc/91/06/09/220910609.db2.gz	XWOYHRTWYLZNSL-UHFFFAOYSA-N	0	0	361.405	4.439	10	5		FIBERN
CCc1ccc(Nc2ncnc(Nc3ccccc3OC)c2[N+](=O)[O-])cc1	ZINC000040587306	220912698	/nfs/dbraw/zinc/91/26/98/220912698.db2.gz	QHGUJXXFYGZQKA-UHFFFAOYSA-N	0	0	365.393	4.443	10	5		FIBERN
Cc1ccc(Oc2ncnc(NCc3ccc(F)cc3)c2[N+](=O)[O-])cc1	ZINC000040659797	220914580	/nfs/dbraw/zinc/91/45/80/220914580.db2.gz	WVHIEVCIAOWPLY-UHFFFAOYSA-N	0	0	354.341	4.237	10	5		FIBERN
O=C(Nc1cc(Br)cc2cccnc21)c1ccc([N+](=O)[O-])cc1	ZINC000001514494	571125260	/nfs/dbraw/zinc/12/52/60/571125260.db2.gz	HGAPDWPIJRIPLX-UHFFFAOYSA-N	0	0	372.178	4.158	10	5		FIBERN
Cc1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1[N+](=O)[O-]	ZINC000015686536	220160645	/nfs/dbraw/zinc/16/06/45/220160645.db2.gz	HALRNXMRKRHGDX-LLVKDONJSA-N	0	0	363.211	4.157	10	5		FIBERN
Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000016087255	220177071	/nfs/dbraw/zinc/17/70/71/220177071.db2.gz	MHCODRJGVYBWRJ-CQSZACIVSA-N	0	0	370.430	4.096	10	5		FIBERN
CC(C)NC(=O)c1ccc2nc(Oc3cccc([N+](=O)[O-])c3)ccc2c1	ZINC000034806192	220763129	/nfs/dbraw/zinc/76/31/29/220763129.db2.gz	HLPOOBVJLZPBEQ-UHFFFAOYSA-N	0	0	351.362	4.074	10	5		FIBERN
COc1ccc(-c2ccc(C(=O)Nc3nc(C)c(C)s3)o2)c([N+](=O)[O-])c1	ZINC000040374612	220901196	/nfs/dbraw/zinc/90/11/96/220901196.db2.gz	FYZTWGPHTDQDBJ-UHFFFAOYSA-N	0	0	373.390	4.189	10	5		FIBERN
CCOc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-]	ZINC000040583301	220911063	/nfs/dbraw/zinc/91/10/63/220911063.db2.gz	UNZVHSZHBDHQRV-UHFFFAOYSA-N	0	0	362.695	4.199	10	5		FIBERN
Cc1ccc(Oc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040573017	220911273	/nfs/dbraw/zinc/91/12/73/220911273.db2.gz	OILJIIOIQNZNMC-UHFFFAOYSA-N	0	0	350.378	4.122	10	5		FIBERN
COc1cccc(Nc2ncnc(Nc3cccc(C)c3C)c2[N+](=O)[O-])c1	ZINC000040586809	220912324	/nfs/dbraw/zinc/91/23/24/220912324.db2.gz	LODIQYAGXPVDBZ-UHFFFAOYSA-N	0	0	365.393	4.497	10	5		FIBERN
COc1cccc(Nc2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])c1	ZINC000040586847	220913159	/nfs/dbraw/zinc/91/31/59/220913159.db2.gz	HLNPBHGPGOHTMZ-UHFFFAOYSA-N	0	0	351.366	4.189	10	5		FIBERN
O=C(Nc1c(Cc2ccccc2)nc2ccccn21)c1cccc([N+](=O)[O-])c1	ZINC000034913071	571169487	/nfs/dbraw/zinc/16/94/87/571169487.db2.gz	PWUMXBJJTKHKQY-UHFFFAOYSA-N	0	0	372.384	4.086	10	5		FIBERN
Cc1cc2c(cc1C)[N@+](CCCS(=O)(=O)[O-])([C@@H](C)c1ccccc1)C=N2	ZINC000249705867	717165161	/nfs/dbraw/zinc/16/51/61/717165161.db2.gz	NFZGBMRYRAVYAQ-JTSKRJEESA-O	0	0	373.498	4.323	10	5		FIBERN