smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)s2)c1 ZINC001199819275 1123040287 /nfs/dbraw/zinc/04/02/87/1123040287.db2.gz NOXCKAPPVSURSY-UHFFFAOYSA-N -1 3 270.697 3.759 20 5 CHBDHM CC[C@@H](C)c1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000599119428 1127658560 /nfs/dbraw/zinc/65/85/60/1127658560.db2.gz JVBVBLLALQRTLU-SNVBAGLBSA-N -1 3 287.319 3.953 20 5 CHBDHM O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc([O-])c(F)c1 ZINC000232421758 1127890360 /nfs/dbraw/zinc/89/03/60/1127890360.db2.gz DNZVXNHVPMCAFT-UHFFFAOYSA-N -1 3 296.685 3.705 20 5 CHBDHM COc1ccc(Nc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC001176362696 1121613645 /nfs/dbraw/zinc/61/36/45/1121613645.db2.gz GBUMCERXPCJCDA-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM CC(C)(C)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)sn1 ZINC001199819459 1123040461 /nfs/dbraw/zinc/04/04/61/1123040461.db2.gz SDDUTOFESKLKNK-UHFFFAOYSA-N -1 3 293.348 3.798 20 5 CHBDHM Cc1ccc2nc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2c1 ZINC001199802751 1123041096 /nfs/dbraw/zinc/04/10/96/1123041096.db2.gz XPLRDDQIRWVSPI-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3ccccc3c2)c1 ZINC001199800960 1123041479 /nfs/dbraw/zinc/04/14/79/1123041479.db2.gz LEYKZDOEARUJQL-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(-n3cccc3)cc2)c1 ZINC001199828169 1123043117 /nfs/dbraw/zinc/04/31/17/1123043117.db2.gz BSRCEARIFRJUAI-UHFFFAOYSA-N -1 3 295.298 3.835 20 5 CHBDHM CCOc1cccc(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229760 1123078600 /nfs/dbraw/zinc/07/86/00/1123078600.db2.gz RHARHPCCUULQPG-UHFFFAOYSA-N -1 3 292.266 3.582 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)cc(Cl)c2)c1 ZINC001201221429 1123079642 /nfs/dbraw/zinc/07/96/42/1123079642.db2.gz BKIUQEYOQAWUAG-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3ccoc32)c1 ZINC001201230049 1123079879 /nfs/dbraw/zinc/07/98/79/1123079879.db2.gz VVLCCRWDPVLBHF-UHFFFAOYSA-N -1 3 270.244 3.790 20 5 CHBDHM C=Cc1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224893 1123081237 /nfs/dbraw/zinc/08/12/37/1123081237.db2.gz VNJVXQLCNSVNOL-UHFFFAOYSA-N -1 3 256.261 3.687 20 5 CHBDHM CCCCC[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693876 1131724423 /nfs/dbraw/zinc/72/44/23/1131724423.db2.gz ZAKMBNZQRJIBKG-JTQLQIEISA-N -1 3 292.339 3.604 20 5 CHBDHM CC[C@H](C)[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676326 1131932067 /nfs/dbraw/zinc/93/20/67/1131932067.db2.gz ZZQPDHMPQVAXJJ-WCBMZHEXSA-N -1 3 277.324 3.593 20 5 CHBDHM CC[C@@H](C)[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676325 1131932439 /nfs/dbraw/zinc/93/24/39/1131932439.db2.gz ZZQPDHMPQVAXJJ-SCZZXKLOSA-N -1 3 277.324 3.593 20 5 CHBDHM O=[N+]([O-])c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174478428 1132882241 /nfs/dbraw/zinc/88/22/41/1132882241.db2.gz JFLYQEMQJACLFJ-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM O=[N+]([O-])c1sccc1[N-]c1ccn(-c2ccccc2)n1 ZINC001164185781 1133204119 /nfs/dbraw/zinc/20/41/19/1133204119.db2.gz RKQDMSNNLNLWJQ-UHFFFAOYSA-N -1 3 286.316 3.586 20 5 CHBDHM O=[N+]([O-])c1ccccc1Nc1cccc(Cl)c1[O-] ZINC001206164378 1133666359 /nfs/dbraw/zinc/66/63/59/1133666359.db2.gz IQUPIEWQCOJOJA-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM Cc1ccc(Nc2cnc3cccc([O-])c3c2)cc1[N+](=O)[O-] ZINC001213665733 1134475550 /nfs/dbraw/zinc/47/55/50/1134475550.db2.gz IXFOOGYEJJYLKX-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM CC[C@@H](C)n1ncc([N-]c2nccc(C)c2[N+](=O)[O-])c1C ZINC000357641922 266338419 /nfs/dbraw/zinc/33/84/19/266338419.db2.gz YBWMVEISSKISBH-SNVBAGLBSA-N -1 3 289.339 3.518 20 5 CHBDHM CC(C=Cc1nc(C)cc(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1 ZINC000486123361 1126971755 /nfs/dbraw/zinc/97/17/55/1126971755.db2.gz MNNLNONPUIGRQE-NJMVCRMVSA-N -1 3 297.314 3.516 20 5 CHBDHM Cc1ccc(C(C)C)cc1Oc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596056528 1127481299 /nfs/dbraw/zinc/48/12/99/1127481299.db2.gz XWVMSLKARCWPMR-UHFFFAOYSA-N -1 3 288.303 3.920 20 5 CHBDHM O=c1[n-]ccc(NCc2ccc(C3CCC3)cc2)c1[N+](=O)[O-] ZINC000596211707 1127485512 /nfs/dbraw/zinc/48/55/12/1127485512.db2.gz ZECCSLRLASPCRY-UHFFFAOYSA-N -1 3 299.330 3.575 20 5 CHBDHM O=[N+]([O-])c1cnc2ccccc2c1Sc1cccc([O-])c1 ZINC000131054405 1120525512 /nfs/dbraw/zinc/52/55/12/1120525512.db2.gz BORCHWDJMJIHFW-UHFFFAOYSA-N -1 3 298.323 4.000 20 5 CHBDHM COc1cc(F)c([N+](=O)[O-])c(Sc2cccc([O-])c2)c1 ZINC000302133439 1120648684 /nfs/dbraw/zinc/64/86/84/1120648684.db2.gz LGJSYBSXAOGRLF-UHFFFAOYSA-N -1 3 295.291 3.599 20 5 CHBDHM COc1ccc(Nc2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC001176362746 1121614305 /nfs/dbraw/zinc/61/43/05/1121614305.db2.gz HLNCFFCLXCHVDF-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM Cc1ccc(Cl)c(Sc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001187541726 1122431166 /nfs/dbraw/zinc/43/11/66/1122431166.db2.gz NHQQJZMHZLHYKK-UHFFFAOYSA-N -1 3 296.735 3.808 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2csc3ncccc23)c1 ZINC001199802455 1123041628 /nfs/dbraw/zinc/04/16/28/1123041628.db2.gz PVOXAOIJUZGVSK-UHFFFAOYSA-N -1 3 287.300 3.654 20 5 CHBDHM CC(C)c1cccnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828772 1123042752 /nfs/dbraw/zinc/04/27/52/1123042752.db2.gz RUYLUPLNUOTUEU-UHFFFAOYSA-N -1 3 273.292 3.562 20 5 CHBDHM CCCc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001199828122 1123043860 /nfs/dbraw/zinc/04/38/60/1123043860.db2.gz APSGLIAGQMBRJP-UHFFFAOYSA-N -1 3 272.304 3.997 20 5 CHBDHM O=C1CCCc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC001201222844 1123079636 /nfs/dbraw/zinc/07/96/36/1123079636.db2.gz UADMVINZWOCHNK-UHFFFAOYSA-N -1 3 298.298 3.563 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3ccc(O)cc3c2)c1 ZINC001201221234 1123079652 /nfs/dbraw/zinc/07/96/52/1123079652.db2.gz AADPLAYRBAFIEQ-UHFFFAOYSA-N -1 3 296.282 3.903 20 5 CHBDHM Nc1cccc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c12 ZINC001201222925 1123081285 /nfs/dbraw/zinc/08/12/85/1123081285.db2.gz SSBFPNAKYBQINI-UHFFFAOYSA-N -1 3 295.298 3.779 20 5 CHBDHM C[C@H](Oc1nc2ccsc2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001234848751 1130681489 /nfs/dbraw/zinc/68/14/89/1130681489.db2.gz SJEUFYBFAINVKT-QMMMGPOBSA-N -1 3 289.316 3.673 20 5 CHBDHM C[C@H](Oc1nc2sccc2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001234848751 1130681494 /nfs/dbraw/zinc/68/14/94/1130681494.db2.gz SJEUFYBFAINVKT-QMMMGPOBSA-N -1 3 289.316 3.673 20 5 CHBDHM CCCC[C@@H](CCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691576 1131724439 /nfs/dbraw/zinc/72/44/39/1131724439.db2.gz PPWOUFQLVJYHQC-SNVBAGLBSA-N -1 3 292.339 3.604 20 5 CHBDHM O=[N+]([O-])c1cc2[n-]c(OC3CCCCC3)nc2cc1Cl ZINC001233497655 1132628588 /nfs/dbraw/zinc/62/85/88/1132628588.db2.gz HBFWSGJGNYSDMB-UHFFFAOYSA-N -1 3 295.726 3.836 20 5 CHBDHM Cc1ccc([N+](=O)[O-])cc1[N-]c1nc(C(C)(C)C)ns1 ZINC001211284998 1134402618 /nfs/dbraw/zinc/40/26/18/1134402618.db2.gz QCZMKCDDOYESKQ-UHFFFAOYSA-N -1 3 292.364 3.796 20 5 CHBDHM Cc1c(F)ccc(Cl)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000336584940 328759217 /nfs/dbraw/zinc/75/92/17/328759217.db2.gz NNVZMUBZEBMLKF-UHFFFAOYSA-N -1 3 298.657 3.541 20 5 CHBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=CCCCC1 ZINC000596198094 1127484814 /nfs/dbraw/zinc/48/48/14/1127484814.db2.gz WCUGUKZPWIXWMO-UHFFFAOYSA-N -1 3 291.351 3.634 20 5 CHBDHM CCCCCC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000695471117 1120270262 /nfs/dbraw/zinc/27/02/62/1120270262.db2.gz DYQMSMUNUMPJBS-UHFFFAOYSA-N -1 3 281.356 3.714 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccnc2C2CCC2)c1 ZINC001199828494 1123043928 /nfs/dbraw/zinc/04/39/28/1123043928.db2.gz KEHYFAMQFKEGCK-UHFFFAOYSA-N -1 3 285.303 3.707 20 5 CHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(F)c1F ZINC001201233197 1123079399 /nfs/dbraw/zinc/07/93/99/1123079399.db2.gz YSXUXDHETSYGCJ-UHFFFAOYSA-N -1 3 280.230 3.631 20 5 CHBDHM CCCc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201231485 1123079699 /nfs/dbraw/zinc/07/96/99/1123079699.db2.gz JPYDYQMQJADBOR-UHFFFAOYSA-N -1 3 272.304 3.997 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2C2CC2)c1 ZINC001201221890 1123080012 /nfs/dbraw/zinc/08/00/12/1123080012.db2.gz JGIPTNFVVBNQCE-UHFFFAOYSA-N -1 3 270.288 3.921 20 5 CHBDHM CSc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201221421 1123080296 /nfs/dbraw/zinc/08/02/96/1123080296.db2.gz BICLZYYRZYOCEF-UHFFFAOYSA-N -1 3 276.317 3.766 20 5 CHBDHM Cc1cc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC001201224453 1123080414 /nfs/dbraw/zinc/08/04/14/1123080414.db2.gz NXIJFAHOZSMHAX-UHFFFAOYSA-N -1 3 272.304 3.969 20 5 CHBDHM CC(C)Oc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223158 1123081040 /nfs/dbraw/zinc/08/10/40/1123081040.db2.gz VHCFMEQCXCAIJM-UHFFFAOYSA-N -1 3 288.303 3.831 20 5 CHBDHM CC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1 ZINC001228685770 1131933888 /nfs/dbraw/zinc/93/38/88/1131933888.db2.gz KGZYAVNBQFSJNY-GFCCVEGCSA-N -1 3 288.303 3.534 20 5 CHBDHM CC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C1CCCCC1 ZINC001228688652 1131934315 /nfs/dbraw/zinc/93/43/15/1131934315.db2.gz MCWZTNUVVIRBDM-GFCCVEGCSA-N -1 3 294.351 3.742 20 5 CHBDHM C[C@H](Oc1cccc([O-])c1F)c1ccccc1[N+](=O)[O-] ZINC001233870830 1132691465 /nfs/dbraw/zinc/69/14/65/1132691465.db2.gz JAKLYOHTVHLTIR-VIFPVBQESA-N -1 3 277.251 3.580 20 5 CHBDHM CC(C)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000596214149 1127485851 /nfs/dbraw/zinc/48/58/51/1127485851.db2.gz NNJLQXRCAAVIGO-GFCCVEGCSA-N -1 3 299.330 3.587 20 5 CHBDHM CCCC(CCC)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596117432 1127483000 /nfs/dbraw/zinc/48/30/00/1127483000.db2.gz GCQTUGJFAZPOSG-UHFFFAOYSA-N -1 3 270.354 3.756 20 5 CHBDHM O=[N+]([O-])c1cccc(Nc2c([O-])cccc2Cl)c1 ZINC001204469428 1118105214 /nfs/dbraw/zinc/10/52/14/1118105214.db2.gz PMGQFNFEJCODBS-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM O=[N+]([O-])c1ccccc1Nc1ccc([O-])c(Cl)c1 ZINC000196464994 1118257662 /nfs/dbraw/zinc/25/76/62/1118257662.db2.gz SCLXNBJICHPDNH-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM O=[N+]([O-])c1ccc(F)c(Nc2c([O-])cccc2Cl)c1 ZINC001175740175 1121444289 /nfs/dbraw/zinc/44/42/89/1121444289.db2.gz VWRBGOLCFDRTHC-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2csc(Cl)c2)c1 ZINC001199814067 1123042467 /nfs/dbraw/zinc/04/24/67/1123042467.db2.gz CRUCNXIFLKEVJL-UHFFFAOYSA-N -1 3 270.697 3.759 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3ccncc3c2)c1 ZINC001201221629 1123079596 /nfs/dbraw/zinc/07/95/96/1123079596.db2.gz CECCLCNSVOVWGF-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM CC(C)Oc1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221442 1123080002 /nfs/dbraw/zinc/08/00/02/1123080002.db2.gz BORBXEXPWFVDQJ-UHFFFAOYSA-N -1 3 288.303 3.831 20 5 CHBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1cccs1 ZINC001227741114 1131731278 /nfs/dbraw/zinc/73/12/78/1131731278.db2.gz HUUYEGSCNIWETG-MRVPVSSYSA-N -1 3 289.316 3.673 20 5 CHBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1cccs1 ZINC001227741114 1131731283 /nfs/dbraw/zinc/73/12/83/1131731283.db2.gz HUUYEGSCNIWETG-MRVPVSSYSA-N -1 3 289.316 3.673 20 5 CHBDHM Cc1ccc(Sc2cccc([O-])c2)c([N+](=O)[O-])c1 ZINC000114636384 228046558 /nfs/dbraw/zinc/04/65/58/228046558.db2.gz MRGVVVQOWXJPOE-UHFFFAOYSA-N -1 3 261.302 3.760 20 5 CHBDHM CCCCc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596055726 1127481278 /nfs/dbraw/zinc/48/12/78/1127481278.db2.gz MYOPXVQFCGCGAF-UHFFFAOYSA-N -1 3 287.319 3.782 20 5 CHBDHM Cc1ccccc1[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596124078 1127483239 /nfs/dbraw/zinc/48/32/39/1127483239.db2.gz UEXQOBHVQHZIIM-CQSZACIVSA-N -1 3 299.330 3.567 20 5 CHBDHM O=[N+]([O-])/C=C/c1ccc(Nc2ccc(F)c([O-])c2)cc1 ZINC001175902112 1121494625 /nfs/dbraw/zinc/49/46/25/1121494625.db2.gz HJKUWRLLAFEKHP-BQYQJAHWSA-N -1 3 274.251 3.522 20 5 CHBDHM CC(C)c1cncc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828606 1123043912 /nfs/dbraw/zinc/04/39/12/1123043912.db2.gz OJUKGUZNZMORBF-UHFFFAOYSA-N -1 3 273.292 3.562 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(O)ccc3ccccc32)c1 ZINC001201222498 1123079868 /nfs/dbraw/zinc/07/98/68/1123079868.db2.gz NJULGNDYAMUCLG-UHFFFAOYSA-N -1 3 296.282 3.903 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)ccc2F)c1 ZINC001201222811 1123080039 /nfs/dbraw/zinc/08/00/39/1123080039.db2.gz SHEOBWUZVIKDHS-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(Cl)c2F)c1 ZINC001201222703 1123080224 /nfs/dbraw/zinc/08/02/24/1123080224.db2.gz POHMQMASWXHHLW-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM Cc1ccc2c(cccc2Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001201224412 1123081300 /nfs/dbraw/zinc/08/13/00/1123081300.db2.gz NEWPDMNJGPMHRN-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM C[C@@H](Oc1nc2ccsc2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001234848662 1130681323 /nfs/dbraw/zinc/68/13/23/1130681323.db2.gz SJEUFYBFAINVKT-MRVPVSSYSA-N -1 3 289.316 3.673 20 5 CHBDHM C[C@@H](Oc1nc2sccc2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001234848662 1130681326 /nfs/dbraw/zinc/68/13/26/1130681326.db2.gz SJEUFYBFAINVKT-MRVPVSSYSA-N -1 3 289.316 3.673 20 5 CHBDHM O=[N+]([O-])c1cc(Cl)cnc1Sc1ccccc1[O-] ZINC000149463565 1130885947 /nfs/dbraw/zinc/88/59/47/1130885947.db2.gz LZRCZHPJSTTYCR-UHFFFAOYSA-N -1 3 282.708 3.500 20 5 CHBDHM CC(C)C(Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(C)C ZINC001227747214 1131733800 /nfs/dbraw/zinc/73/38/00/1131733800.db2.gz YPVWRZPUTQCISP-UHFFFAOYSA-N -1 3 277.324 3.531 20 5 CHBDHM CC(C)C(Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(C)C ZINC001227747214 1131733807 /nfs/dbraw/zinc/73/38/07/1131733807.db2.gz YPVWRZPUTQCISP-UHFFFAOYSA-N -1 3 277.324 3.531 20 5 CHBDHM CCC(CC)[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685369 1131934276 /nfs/dbraw/zinc/93/42/76/1131934276.db2.gz GNPCDPZTRBCDAJ-NSHDSACASA-N -1 3 282.340 3.597 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3[nH]ccc3c2)c1 ZINC001159561547 1132863456 /nfs/dbraw/zinc/86/34/56/1132863456.db2.gz FGQCYEHTWBRGKO-UHFFFAOYSA-N -1 3 269.260 3.525 20 5 CHBDHM Cc1ccc([N-]c2ncc3ccccc3n2)c([N+](=O)[O-])c1 ZINC001214165611 1134515527 /nfs/dbraw/zinc/51/55/27/1134515527.db2.gz ZDDPYHKRUIULDN-UHFFFAOYSA-N -1 3 280.287 3.590 20 5 CHBDHM O=[N+]([O-])c1cc(F)c(Sc2cccc([O-])c2)c(F)c1 ZINC000230591549 333319095 /nfs/dbraw/zinc/31/90/95/333319095.db2.gz DWJPELVTLIFQGF-UHFFFAOYSA-N -1 3 283.255 3.730 20 5 CHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccoc1Cl ZINC000800150084 1125474650 /nfs/dbraw/zinc/47/46/50/1125474650.db2.gz AOJVZYGYIFKAIY-UHFFFAOYSA-N -1 3 298.657 3.541 20 5 CHBDHM C[C@@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(C)(C)C ZINC000596203902 1127486996 /nfs/dbraw/zinc/48/69/96/1127486996.db2.gz QZITUEDOBFADRC-JTQLQIEISA-N -1 3 281.356 3.570 20 5 CHBDHM O=[N+]([O-])c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001204468432 1118104392 /nfs/dbraw/zinc/10/43/92/1118104392.db2.gz HRUSPAUNUIQDGK-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC001199828870 1123042323 /nfs/dbraw/zinc/04/23/23/1123042323.db2.gz WUYPXXWNIMQFOH-UHFFFAOYSA-N -1 3 258.277 3.661 20 5 CHBDHM CC(C)Oc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001199828852 1123042401 /nfs/dbraw/zinc/04/24/01/1123042401.db2.gz WBTMXCXVDRZOOX-UHFFFAOYSA-N -1 3 288.303 3.831 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc3ccccc3cn2)c1 ZINC001199815280 1123042731 /nfs/dbraw/zinc/04/27/31/1123042731.db2.gz YIDSMRVKTBIJIU-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM CC(=O)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC001201229487 1123078861 /nfs/dbraw/zinc/07/88/61/1123078861.db2.gz OFQHFVOLHCZIFM-UHFFFAOYSA-N -1 3 286.287 3.555 20 5 CHBDHM Cc1ccc2cccnc2c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222795 1123079346 /nfs/dbraw/zinc/07/93/46/1123079346.db2.gz ROOFCRWUHCNHTP-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM Cn1ccc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC001201222769 1123079780 /nfs/dbraw/zinc/07/97/80/1123079780.db2.gz QQXRZLIZWRPTCR-UHFFFAOYSA-N -1 3 283.287 3.536 20 5 CHBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)c1O ZINC001201224155 1123081316 /nfs/dbraw/zinc/08/13/16/1123081316.db2.gz JMJFKUVSGSFHBG-UHFFFAOYSA-N -1 3 294.694 3.711 20 5 CHBDHM C[C@H](Oc1nc2ccsc2[n-]1)c1ccccc1[N+](=O)[O-] ZINC001234846923 1130681840 /nfs/dbraw/zinc/68/18/40/1130681840.db2.gz DVGSLSSWBZNZAN-QMMMGPOBSA-N -1 3 289.316 3.673 20 5 CHBDHM C[C@H](Oc1nc2sccc2[n-]1)c1ccccc1[N+](=O)[O-] ZINC001234846923 1130681844 /nfs/dbraw/zinc/68/18/44/1130681844.db2.gz DVGSLSSWBZNZAN-QMMMGPOBSA-N -1 3 289.316 3.673 20 5 CHBDHM CCCCC[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693877 1131725232 /nfs/dbraw/zinc/72/52/32/1131725232.db2.gz ZAKMBNZQRJIBKG-SNVBAGLBSA-N -1 3 292.339 3.604 20 5 CHBDHM C[C@H]1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233497841 1132628885 /nfs/dbraw/zinc/62/88/85/1132628885.db2.gz IMNUQQBWVXTOTD-JGVFFNPUSA-N -1 3 295.726 3.692 20 5 CHBDHM O=[N+]([O-])c1cc(Nc2ccc(Cl)cc2[O-])ccc1F ZINC001211192956 1134388688 /nfs/dbraw/zinc/38/86/88/1134388688.db2.gz BVSZNBVWOAHPEO-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)cs2)c1 ZINC001199828909 1123041887 /nfs/dbraw/zinc/04/18/87/1123041887.db2.gz YMPKWOBMNUOADK-UHFFFAOYSA-N -1 3 270.697 3.759 20 5 CHBDHM CCCCC1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596086773 1127482232 /nfs/dbraw/zinc/48/22/32/1127482232.db2.gz ANOZRYLJLWLQGY-UHFFFAOYSA-N -1 3 293.367 3.856 20 5 CHBDHM Cc1ccccc1[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596124077 1127482950 /nfs/dbraw/zinc/48/29/50/1127482950.db2.gz UEXQOBHVQHZIIM-AWEZNQCLSA-N -1 3 299.330 3.567 20 5 CHBDHM C[C@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(C)(C)C ZINC000596203903 1127487003 /nfs/dbraw/zinc/48/70/03/1127487003.db2.gz QZITUEDOBFADRC-SNVBAGLBSA-N -1 3 281.356 3.570 20 5 CHBDHM C[C@@H](Sc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001185089402 1122315461 /nfs/dbraw/zinc/31/54/61/1122315461.db2.gz WOXCGEFUWMESRI-MRVPVSSYSA-N -1 3 294.307 3.688 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)c3cnccc23)c1 ZINC001201230066 1123079317 /nfs/dbraw/zinc/07/93/17/1123079317.db2.gz WMZKONJPIPWAKH-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC001201222004 1123079427 /nfs/dbraw/zinc/07/94/27/1123079427.db2.gz HYGUAOVCJZBGCB-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(N3CCCC3)cc2)c1 ZINC001201221835 1123079495 /nfs/dbraw/zinc/07/94/95/1123079495.db2.gz IOCGRMPTTLJISX-UHFFFAOYSA-N -1 3 299.330 3.644 20 5 CHBDHM C[C@@H](Oc1cccc([O-])c1F)c1ccccc1[N+](=O)[O-] ZINC001233870828 1132690782 /nfs/dbraw/zinc/69/07/82/1132690782.db2.gz JAKLYOHTVHLTIR-SECBINFHSA-N -1 3 277.251 3.580 20 5 CHBDHM Cc1ccc(Nc2cc([O-])c(F)cc2F)cc1[N+](=O)[O-] ZINC001213667307 1134476690 /nfs/dbraw/zinc/47/66/90/1134476690.db2.gz MHLNAZWVDWQBBS-UHFFFAOYSA-N -1 3 280.230 3.631 20 5 CHBDHM CCOc1cc(Sc2cccc([O-])c2)ccc1[N+](=O)[O-] ZINC000130423126 260395372 /nfs/dbraw/zinc/39/53/72/260395372.db2.gz VQJVFZNTBHUSNI-UHFFFAOYSA-N -1 3 291.328 3.850 20 5 CHBDHM CC(C)[C@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596197216 1127485243 /nfs/dbraw/zinc/48/52/43/1127485243.db2.gz USSQSGDYQUPHKC-RYUDHWBXSA-N -1 3 293.367 3.712 20 5 CHBDHM CCN(C)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201230849 1123079540 /nfs/dbraw/zinc/07/95/40/1123079540.db2.gz ABRNDCSBPSVQMN-UHFFFAOYSA-N -1 3 287.319 3.500 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2OC(F)F)c1 ZINC001201222808 1123080068 /nfs/dbraw/zinc/08/00/68/1123080068.db2.gz SFJRSUNQALIWKK-UHFFFAOYSA-N -1 3 296.229 3.645 20 5 CHBDHM Cn1ccc2c1cccc2Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224718 1123080934 /nfs/dbraw/zinc/08/09/34/1123080934.db2.gz RPVOTBPJZUAEEQ-UHFFFAOYSA-N -1 3 283.287 3.536 20 5 CHBDHM Cc1cncc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c12 ZINC001201224384 1123080993 /nfs/dbraw/zinc/08/09/93/1123080993.db2.gz MRBVLYMUGGHARI-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM Cc1c(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC001201223596 1123081441 /nfs/dbraw/zinc/08/14/41/1123081441.db2.gz CSOPNNRVLQVUOJ-UHFFFAOYSA-N -1 3 276.267 3.800 20 5 CHBDHM CCCCC[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685296 1131934079 /nfs/dbraw/zinc/93/40/79/1131934079.db2.gz FOZUSKJRDCJRCO-NSHDSACASA-N -1 3 282.340 3.742 20 5 CHBDHM Cc1[n-]c(=O)cc(O[C@H]2CC[C@H](C(C)C)CC2)c1[N+](=O)[O-] ZINC001228689935 1131935369 /nfs/dbraw/zinc/93/53/69/1131935369.db2.gz XLJRSEDTNIMDIG-HAQNSBGRSA-N -1 3 294.351 3.597 20 5 CHBDHM Cc1[n-]c(=O)cc(O[C@H](C)CCCC(C)C)c1[N+](=O)[O-] ZINC001228689972 1131935526 /nfs/dbraw/zinc/93/55/26/1131935526.db2.gz YIDXHIIJVMUIAB-SNVBAGLBSA-N -1 3 282.340 3.597 20 5 CHBDHM O=[N+]([O-])c1ccc([N-]c2cc(-c3ccco3)no2)cc1 ZINC001174476768 1132880943 /nfs/dbraw/zinc/88/09/43/1132880943.db2.gz FCDNEJYCDZUKSH-UHFFFAOYSA-N -1 3 271.232 3.586 20 5 CHBDHM O=[N+]([O-])c1cccc(Nc2cnc3cccc([O-])c3c2)c1 ZINC001204450518 1133448744 /nfs/dbraw/zinc/44/87/44/1133448744.db2.gz PYYRYDZPJKGUGT-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM O=[N+]([O-])c1cccc(Nc2ccc(Cl)cc2[O-])c1F ZINC001210384885 1134204225 /nfs/dbraw/zinc/20/42/25/1134204225.db2.gz ZTQZLUYJNQOCPT-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc(F)ccc1Nc1ccc([O-])c(Cl)c1 ZINC001210954056 1134339594 /nfs/dbraw/zinc/33/95/94/1134339594.db2.gz UPZZIHCTFPSJKS-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=C([N-]c1csc2ccccc12)c1ccc([N+](=O)[O-])o1 ZINC000352194684 228195088 /nfs/dbraw/zinc/19/50/88/228195088.db2.gz YZNUZCFGMUCOQE-UHFFFAOYSA-N -1 3 288.284 3.655 20 5 CHBDHM CC(C)C1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596167726 1127485251 /nfs/dbraw/zinc/48/52/51/1127485251.db2.gz LAXCHLGYNHEQMF-UHFFFAOYSA-N -1 3 293.367 3.570 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3ccsc3c2)c1 ZINC001199819279 1123040259 /nfs/dbraw/zinc/04/02/59/1123040259.db2.gz NSLAUBBETKQAPM-UHFFFAOYSA-N -1 3 287.300 3.654 20 5 CHBDHM CC(C)c1ncsc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828499 1123043699 /nfs/dbraw/zinc/04/36/99/1123043699.db2.gz KKFWVPODUPGSEE-UHFFFAOYSA-N -1 3 279.321 3.624 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3occc3c2)c1 ZINC001201229132 1123078903 /nfs/dbraw/zinc/07/89/03/1123078903.db2.gz DJGQEACNSJTLRE-UHFFFAOYSA-N -1 3 270.244 3.790 20 5 CHBDHM CSc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222441 1123080060 /nfs/dbraw/zinc/08/00/60/1123080060.db2.gz OUNQYUKMAXTXCQ-UHFFFAOYSA-N -1 3 276.317 3.766 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3ncsc32)c1 ZINC001201222471 1123080208 /nfs/dbraw/zinc/08/02/08/1123080208.db2.gz MOBFGRBZZILUBK-UHFFFAOYSA-N -1 3 287.300 3.654 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(C3CC3)cc2)c1 ZINC001201224298 1123080955 /nfs/dbraw/zinc/08/09/55/1123080955.db2.gz LLAONDNBYMJGFN-UHFFFAOYSA-N -1 3 270.288 3.921 20 5 CHBDHM CCCC[C@H](CCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691575 1131725141 /nfs/dbraw/zinc/72/51/41/1131725141.db2.gz PPWOUFQLVJYHQC-JTQLQIEISA-N -1 3 292.339 3.604 20 5 CHBDHM C[C@H]1CC[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233497844 1132628568 /nfs/dbraw/zinc/62/85/68/1132628568.db2.gz IMNUQQBWVXTOTD-YUMQZZPRSA-N -1 3 295.726 3.692 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncc3ccccc32)c1 ZINC001199802131 1123041675 /nfs/dbraw/zinc/04/16/75/1123041675.db2.gz MIJDTOCWYJVIER-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM Cc1ccc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828815 1123042537 /nfs/dbraw/zinc/04/25/37/1123042537.db2.gz UJPXWYCYGBEBBT-UHFFFAOYSA-N -1 3 258.277 3.661 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3ncccc32)c1 ZINC001199828432 1123043350 /nfs/dbraw/zinc/04/33/50/1123043350.db2.gz HPTSPGIQKZJHNI-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3cccnc3c2)c1 ZINC001201222776 1123079355 /nfs/dbraw/zinc/07/93/55/1123079355.db2.gz QUNHOGBKNVCNOH-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM CC(C)C[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001168146126 1125262555 /nfs/dbraw/zinc/26/25/55/1125262555.db2.gz QEVFKXHMUGLMFX-CYBMUJFWSA-N -1 3 292.379 3.559 20 5 CHBDHM CC[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(C)(C)C ZINC001227746259 1131733732 /nfs/dbraw/zinc/73/37/32/1131733732.db2.gz QYGGHPPQJULXRX-LBPRGKRZSA-N -1 3 277.324 3.675 20 5 CHBDHM CC[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(C)(C)C ZINC001227746259 1131733739 /nfs/dbraw/zinc/73/37/39/1131733739.db2.gz QYGGHPPQJULXRX-LBPRGKRZSA-N -1 3 277.324 3.675 20 5 CHBDHM Cc1cc2[n-]c(O[C@H](C)CC(C)C)nc2cc1[N+](=O)[O-] ZINC001228673245 1131931841 /nfs/dbraw/zinc/93/18/41/1131931841.db2.gz CYANUJWOMLPDSA-SNVBAGLBSA-N -1 3 277.324 3.593 20 5 CHBDHM O=[N+]([O-])c1ccc(Nc2cc([O-])cc(Cl)c2)cc1 ZINC001174479147 1132882673 /nfs/dbraw/zinc/88/26/73/1132882673.db2.gz CERYVMRVTBJNHM-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM CC(C=Cc1nc(C)cc(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1 ZINC000486123360 1126971743 /nfs/dbraw/zinc/97/17/43/1126971743.db2.gz MNNLNONPUIGRQE-HRCSPUOPSA-N -1 3 297.314 3.516 20 5 CHBDHM CC(C)[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596197210 1127485077 /nfs/dbraw/zinc/48/50/77/1127485077.db2.gz USSQSGDYQUPHKC-NEPJUHHUSA-N -1 3 293.367 3.712 20 5 CHBDHM CC1(C)CCC(C)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596274073 1127487496 /nfs/dbraw/zinc/48/74/96/1127487496.db2.gz YGSJQTJMTYJTKC-UHFFFAOYSA-N -1 3 293.367 3.714 20 5 CHBDHM CC(C)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199815147 1123041878 /nfs/dbraw/zinc/04/18/78/1123041878.db2.gz VGKFHCGPCKVAEO-UHFFFAOYSA-N -1 3 273.292 3.562 20 5 CHBDHM Cc1ccnc(C(C)C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828927 1123042432 /nfs/dbraw/zinc/04/24/32/1123042432.db2.gz ZPQCMETVYZDWQC-UHFFFAOYSA-N -1 3 287.319 3.871 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(O)c3ccccc23)c1 ZINC001201222034 1123079510 /nfs/dbraw/zinc/07/95/10/1123079510.db2.gz ISELPAHMNYWQHS-UHFFFAOYSA-N -1 3 296.282 3.903 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2-c2cnco2)c1 ZINC001201222837 1123079749 /nfs/dbraw/zinc/07/97/49/1123079749.db2.gz PUMJHSCISKHFMB-UHFFFAOYSA-N -1 3 297.270 3.699 20 5 CHBDHM CCCOc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222718 1123079952 /nfs/dbraw/zinc/07/99/52/1123079952.db2.gz PXOASTNZTUEVSR-UHFFFAOYSA-N -1 3 288.303 3.833 20 5 CHBDHM Cc1c(Cl)cc(N)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224980 1123081507 /nfs/dbraw/zinc/08/15/07/1123081507.db2.gz YAQCYXOFJJNNFG-UHFFFAOYSA-N -1 3 293.710 3.588 20 5 CHBDHM CC(C)=CCC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688330 1131933813 /nfs/dbraw/zinc/93/38/13/1131933813.db2.gz IEEMFUJQDZGTHE-JTQLQIEISA-N -1 3 280.324 3.518 20 5 CHBDHM O=[N+]([O-])c1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001174475558 1132879914 /nfs/dbraw/zinc/87/99/14/1132879914.db2.gz JCPLCTWXNWPCBA-UHFFFAOYSA-N -1 3 287.300 3.654 20 5 CHBDHM O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc([O-])c(F)c1 ZINC000217493554 333121357 /nfs/dbraw/zinc/12/13/57/333121357.db2.gz XZLHQQWNJKAMSB-UHFFFAOYSA-N -1 3 296.685 3.705 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(Cl)c2)c1 ZINC001199828819 1123042935 /nfs/dbraw/zinc/04/29/35/1123042935.db2.gz UKXFYYFWLNFSDB-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM CCCC[C@@H](CCC)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596157005 1127485096 /nfs/dbraw/zinc/48/50/96/1127485096.db2.gz WCLAXXTTXXEVHI-LLVKDONJSA-N -1 3 281.356 3.714 20 5 CHBDHM O=c1[n-]ccc(Nc2ccc(C3CCC3)cc2)c1[N+](=O)[O-] ZINC000596214631 1127485743 /nfs/dbraw/zinc/48/57/43/1127485743.db2.gz FHIJFTKKYLQAPM-UHFFFAOYSA-N -1 3 285.303 3.707 20 5 CHBDHM O=[N+]([O-])/C=C/c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175907556 1121495418 /nfs/dbraw/zinc/49/54/18/1121495418.db2.gz SPFNXVAHOHMOSU-AATRIKPKSA-N -1 3 292.241 3.661 20 5 CHBDHM Cc1cccc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)nc12 ZINC001199802129 1123041554 /nfs/dbraw/zinc/04/15/54/1123041554.db2.gz MGHRXGUKUPGNMR-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3ncccc3c2)c1 ZINC001199828820 1123042386 /nfs/dbraw/zinc/04/23/86/1123042386.db2.gz UPUVGRUMGHPLAQ-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM CCOc1cc(F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828420 1123043768 /nfs/dbraw/zinc/04/37/68/1123043768.db2.gz HBVVOEJIUHGHNI-UHFFFAOYSA-N -1 3 292.266 3.582 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(C3CC3)c2)c1 ZINC001201229767 1123078716 /nfs/dbraw/zinc/07/87/16/1123078716.db2.gz RRJPKRVSDZBSBG-UHFFFAOYSA-N -1 3 270.288 3.921 20 5 CHBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC001201222794 1123079830 /nfs/dbraw/zinc/07/98/30/1123079830.db2.gz RNUYPBMCNSJPRM-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM CC(C)C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001168146128 1125262079 /nfs/dbraw/zinc/26/20/79/1125262079.db2.gz QEVFKXHMUGLMFX-ZDUSSCGKSA-N -1 3 292.379 3.559 20 5 CHBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC=CCCC3)[n-]c2c1 ZINC001227745372 1131732173 /nfs/dbraw/zinc/73/21/73/1131732173.db2.gz MPZCRYLMQVJMJB-GFCCVEGCSA-N -1 3 287.319 3.739 20 5 CHBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCC=CCCC3)nc2c1 ZINC001227745372 1131732182 /nfs/dbraw/zinc/73/21/82/1131732182.db2.gz MPZCRYLMQVJMJB-GFCCVEGCSA-N -1 3 287.319 3.739 20 5 CHBDHM Cc1cccc([C@H](C)Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)c1 ZINC001227745385 1131732532 /nfs/dbraw/zinc/73/25/32/1131732532.db2.gz MTAFGYRQJCFCQF-NSHDSACASA-N -1 3 297.314 3.920 20 5 CHBDHM Cc1cccc([C@H](C)Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)c1 ZINC001227745385 1131732536 /nfs/dbraw/zinc/73/25/36/1131732536.db2.gz MTAFGYRQJCFCQF-NSHDSACASA-N -1 3 297.314 3.920 20 5 CHBDHM C[C@@H](Oc1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC001233870525 1132691592 /nfs/dbraw/zinc/69/15/92/1132691592.db2.gz FLLXZOVAVPCHIW-SECBINFHSA-N -1 3 277.251 3.580 20 5 CHBDHM O=[N+]([O-])c1cccnc1[N-]c1csc2ccccc12 ZINC000485164871 331910063 /nfs/dbraw/zinc/91/00/63/331910063.db2.gz YMFLLLPMLHACHE-UHFFFAOYSA-N -1 3 271.301 3.948 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3cccc(F)c3c2)c1 ZINC001199818570 1123040422 /nfs/dbraw/zinc/04/04/22/1123040422.db2.gz DTOQUKATWPVCRI-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3cnccc32)c1 ZINC001199828701 1123042301 /nfs/dbraw/zinc/04/23/01/1123042301.db2.gz PXAFXZGGABQZQF-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM CCC[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233497701 1132629402 /nfs/dbraw/zinc/62/94/02/1132629402.db2.gz HFPBQUHYZHZKJY-ZETCQYMHSA-N -1 3 283.715 3.692 20 5 CHBDHM O=[N+]([O-])c1cc(Nc2c([O-])cccc2Cl)ccc1F ZINC001211193184 1134388142 /nfs/dbraw/zinc/38/81/42/1134388142.db2.gz JHQSJWNNFIEVEZ-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1ccc(Sc2cccc([O-])c2)c2ccncc21 ZINC000130424981 260395437 /nfs/dbraw/zinc/39/54/37/260395437.db2.gz QRVHUWMOVSIENH-UHFFFAOYSA-N -1 3 298.323 4.000 20 5 CHBDHM CCCCC[C@@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685288 1131934427 /nfs/dbraw/zinc/93/44/27/1131934427.db2.gz FOZUSKJRDCJRCO-LLVKDONJSA-N -1 3 282.340 3.742 20 5 CHBDHM CC[C@H](C)n1ncc([N-]c2nc(C)ccc2[N+](=O)[O-])c1C ZINC000357635632 1127392548 /nfs/dbraw/zinc/39/25/48/1127392548.db2.gz NEVZSEDORYSDHO-JTQLQIEISA-N -1 3 289.339 3.518 20 5 CHBDHM CC1(C)C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000596168820 1127484756 /nfs/dbraw/zinc/48/47/56/1127484756.db2.gz XTPFAWHSMNFMQY-CYBMUJFWSA-N -1 3 299.330 3.530 20 5 CHBDHM O=[N+]([O-])c1cc2ccccc2nc1Sc1cccc([O-])c1 ZINC000473505199 1121723338 /nfs/dbraw/zinc/72/33/38/1121723338.db2.gz AFZLGKDNNNZXAU-UHFFFAOYSA-N -1 3 298.323 4.000 20 5 CHBDHM CC(C)(C)c1csc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199802495 1123041284 /nfs/dbraw/zinc/04/12/84/1123041284.db2.gz RYHWTDGPMPCDDV-UHFFFAOYSA-N -1 3 293.348 3.798 20 5 CHBDHM COc1cc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC001201232439 1123079503 /nfs/dbraw/zinc/07/95/03/1123079503.db2.gz PQAPFQAQPTUZTD-UHFFFAOYSA-N -1 3 288.303 3.669 20 5 CHBDHM COc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1Cl ZINC001201223413 1123080421 /nfs/dbraw/zinc/08/04/21/1123080421.db2.gz YKFFJNLALXRPPW-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3cc(O)ccc32)c1 ZINC001201224751 1123080909 /nfs/dbraw/zinc/08/09/09/1123080909.db2.gz SWTQMLBRMCFXIY-UHFFFAOYSA-N -1 3 296.282 3.903 20 5 CHBDHM Cc1ccccc1[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227742467 1131731917 /nfs/dbraw/zinc/73/19/17/1131731917.db2.gz AJQFGBCTOUVVOC-LLVKDONJSA-N -1 3 297.314 3.920 20 5 CHBDHM Cc1ccccc1[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227742467 1131731920 /nfs/dbraw/zinc/73/19/20/1131731920.db2.gz AJQFGBCTOUVVOC-LLVKDONJSA-N -1 3 297.314 3.920 20 5 CHBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001227742108 1131732382 /nfs/dbraw/zinc/73/23/82/1131732382.db2.gz VXUSSTQVVZPBOR-JTQLQIEISA-N -1 3 283.287 3.611 20 5 CHBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1 ZINC001227742108 1131732385 /nfs/dbraw/zinc/73/23/85/1131732385.db2.gz VXUSSTQVVZPBOR-JTQLQIEISA-N -1 3 283.287 3.611 20 5 CHBDHM CC[C@@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)C(C)C ZINC001228678672 1131932242 /nfs/dbraw/zinc/93/22/42/1131932242.db2.gz YAFLHDURXLULMI-CYBMUJFWSA-N -1 3 277.324 3.593 20 5 CHBDHM CCC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])[C@H](C)CC ZINC001228686238 1131933846 /nfs/dbraw/zinc/93/38/46/1131933846.db2.gz MTYGIORJSTVWJK-MWLCHTKSSA-N -1 3 282.340 3.597 20 5 CHBDHM COc1ccc([N+](=O)[O-])cc1Nc1c([O-])cccc1Cl ZINC001210446923 1134216192 /nfs/dbraw/zinc/21/61/92/1134216192.db2.gz UFJTXVKVLNHLEN-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596177755 1127485932 /nfs/dbraw/zinc/48/59/32/1127485932.db2.gz OOLWZQDEGZBTOU-UHFFFAOYSA-N -1 3 293.367 3.714 20 5 CHBDHM CCc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1CC ZINC000596184279 1127484503 /nfs/dbraw/zinc/48/45/03/1127484503.db2.gz FFEYZXHOEQCRRI-UHFFFAOYSA-N -1 3 287.319 3.564 20 5 CHBDHM CC(C)CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596165491 1127484855 /nfs/dbraw/zinc/48/48/55/1127484855.db2.gz STNXMSASHSBBQV-UHFFFAOYSA-N -1 3 293.367 3.714 20 5 CHBDHM O=[N+]([O-])/C=C/c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001175902885 1121494542 /nfs/dbraw/zinc/49/45/42/1121494542.db2.gz VFNBSXWOZNRAAC-AATRIKPKSA-N -1 3 292.241 3.661 20 5 CHBDHM CCc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001199828849 1123042635 /nfs/dbraw/zinc/04/26/35/1123042635.db2.gz VWSNRGUKTSMJKC-UHFFFAOYSA-N -1 3 258.277 3.606 20 5 CHBDHM CSc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001201229462 1123078777 /nfs/dbraw/zinc/07/87/77/1123078777.db2.gz OAIWISZPMCWBJD-UHFFFAOYSA-N -1 3 294.307 3.905 20 5 CHBDHM CCOc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201229364 1123079105 /nfs/dbraw/zinc/07/91/05/1123079105.db2.gz MOFZHGRMZLZQDA-UHFFFAOYSA-N -1 3 292.266 3.582 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(C(F)F)c2)c1 ZINC001201222700 1123079267 /nfs/dbraw/zinc/07/92/67/1123079267.db2.gz PODGKNXQDSXPDW-UHFFFAOYSA-N -1 3 280.230 3.982 20 5 CHBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1F ZINC001201222816 1123079911 /nfs/dbraw/zinc/07/99/11/1123079911.db2.gz PLEPADWVNKZAAJ-UHFFFAOYSA-N -1 3 280.230 3.631 20 5 CHBDHM Cc1c(F)ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1F ZINC001201224097 1123081141 /nfs/dbraw/zinc/08/11/41/1123081141.db2.gz ICWGBOBFOOLSHK-UHFFFAOYSA-N -1 3 280.230 3.631 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)c3cccnc23)c1 ZINC001201224736 1123081151 /nfs/dbraw/zinc/08/11/51/1123081151.db2.gz SIUXQEOBFOLJEQ-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM Cc1cc(Cl)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1O ZINC001201224013 1123081456 /nfs/dbraw/zinc/08/14/56/1123081456.db2.gz HIEYAEZUFHVFEM-UHFFFAOYSA-N -1 3 294.694 3.711 20 5 CHBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CCc4ccccc43)[n-]c2c1 ZINC001227741308 1131731330 /nfs/dbraw/zinc/73/13/30/1131731330.db2.gz LURYXXFFKRUSRD-HNNXBMFYSA-N -1 3 295.298 3.537 20 5 CHBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCc4ccccc43)nc2c1 ZINC001227741308 1131731337 /nfs/dbraw/zinc/73/13/37/1131731337.db2.gz LURYXXFFKRUSRD-HNNXBMFYSA-N -1 3 295.298 3.537 20 5 CHBDHM O=[N+]([O-])c1ccccc1Nc1cc([O-])ccc1Cl ZINC001206172154 1132293031 /nfs/dbraw/zinc/29/30/31/1132293031.db2.gz FESHZORKGBNVMN-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM CCC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225665012 1135605585 /nfs/dbraw/zinc/60/55/85/1135605585.db2.gz XAPTXOAZNDJZSV-CYBMUJFWSA-N -1 3 288.303 3.616 20 5 CHBDHM O=[N+]([O-])c1ccc(Sc2cccc([O-])c2)c2ncccc12 ZINC000130416372 260395719 /nfs/dbraw/zinc/39/57/19/260395719.db2.gz SNGUWDZIGPRSNP-UHFFFAOYSA-N -1 3 298.323 4.000 20 5 CHBDHM O=[N+]([O-])c1ccsc1Sc1cccc([O-])c1 ZINC000612453141 1119247267 /nfs/dbraw/zinc/24/72/67/1119247267.db2.gz BZKLINDHPRRORP-UHFFFAOYSA-N -1 3 253.304 3.513 20 5 CHBDHM COc1ccc(Cl)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828942 1123041919 /nfs/dbraw/zinc/04/19/19/1123041919.db2.gz ZUHPJBVZOIKHSG-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC001199828745 1123042080 /nfs/dbraw/zinc/04/20/80/1123042080.db2.gz QYWQLICNMKZGPK-UHFFFAOYSA-N -1 3 258.277 3.661 20 5 CHBDHM CCOc1c(F)cccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229300 1123078509 /nfs/dbraw/zinc/07/85/09/1123078509.db2.gz LDYJTMCKKHPJKW-UHFFFAOYSA-N -1 3 292.266 3.582 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3occc32)c1 ZINC001201229145 1123078946 /nfs/dbraw/zinc/07/89/46/1123078946.db2.gz DQOZTXBCBDGECI-UHFFFAOYSA-N -1 3 270.244 3.790 20 5 CHBDHM CCOc1ccc(C)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221503 1123079557 /nfs/dbraw/zinc/07/95/57/1123079557.db2.gz COZGVFBTEPRGEI-UHFFFAOYSA-N -1 3 288.303 3.751 20 5 CHBDHM Cc1c(Cl)ccc(N)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223591 1123080702 /nfs/dbraw/zinc/08/07/02/1123080702.db2.gz CMUKPHDTAXTWSB-UHFFFAOYSA-N -1 3 293.710 3.588 20 5 CHBDHM CNc1ccc(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223545 1123081449 /nfs/dbraw/zinc/08/14/49/1123081449.db2.gz AFUNHUNWHWGSKA-UHFFFAOYSA-N -1 3 293.710 3.739 20 5 CHBDHM C[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C1CCC1 ZINC001233497321 1132628738 /nfs/dbraw/zinc/62/87/38/1132628738.db2.gz GLSUIZLCJJYWLE-ZETCQYMHSA-N -1 3 295.726 3.692 20 5 CHBDHM O=[N+]([O-])c1ccc(Cl)c([N-]c2ccno2)c1Cl ZINC001215581941 1134647922 /nfs/dbraw/zinc/64/79/22/1134647922.db2.gz NJVAHKGREHMQLI-UHFFFAOYSA-N -1 3 274.063 3.633 20 5 CHBDHM C[C@H]1CC[C@@](C)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596416098 1127503216 /nfs/dbraw/zinc/50/32/16/1127503216.db2.gz ARSZZEWDHSNXIU-BONVTDFDSA-N -1 3 293.367 3.570 20 5 CHBDHM C[C@H](Sc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001185089403 1122314380 /nfs/dbraw/zinc/31/43/80/1122314380.db2.gz WOXCGEFUWMESRI-QMMMGPOBSA-N -1 3 294.307 3.688 20 5 CHBDHM COc1ccc(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828742 1123041909 /nfs/dbraw/zinc/04/19/09/1123041909.db2.gz QWCQGVXBSNSPBI-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc3c(s2)CCCC3)c1 ZINC001199828865 1123042094 /nfs/dbraw/zinc/04/20/94/1123042094.db2.gz WOBVGPAONCGNTD-UHFFFAOYSA-N -1 3 290.344 3.984 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(C3CCC3)n2)c1 ZINC001199828192 1123043555 /nfs/dbraw/zinc/04/35/55/1123043555.db2.gz CAFCTJZSGVEJDQ-UHFFFAOYSA-N -1 3 285.303 3.707 20 5 CHBDHM C=Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201229450 1123078419 /nfs/dbraw/zinc/07/84/19/1123078419.db2.gz NQLYGECQRLODRF-UHFFFAOYSA-N -1 3 256.261 3.687 20 5 CHBDHM CCCOc1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201230043 1123079276 /nfs/dbraw/zinc/07/92/76/1123079276.db2.gz VOFGHATXSOXHDX-UHFFFAOYSA-N -1 3 288.303 3.833 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(-c3cnco3)cc2)c1 ZINC001201222771 1123079584 /nfs/dbraw/zinc/07/95/84/1123079584.db2.gz QSOYGWSCZXHWJZ-UHFFFAOYSA-N -1 3 297.270 3.699 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3ccncc32)c1 ZINC001201222030 1123079714 /nfs/dbraw/zinc/07/97/14/1123079714.db2.gz IJQVVXWCHZJRMQ-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c2cccnc12 ZINC001201222402 1123080217 /nfs/dbraw/zinc/08/02/17/1123080217.db2.gz NMQNYDPTVSHNNW-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)ccc2Cl)c1 ZINC001201221555 1123080249 /nfs/dbraw/zinc/08/02/49/1123080249.db2.gz DMFJNHYQOXQATF-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM Cc1ccnc2c(Nc3cc([O-])cc([N+](=O)[O-])c3)cccc12 ZINC001201224928 1123080692 /nfs/dbraw/zinc/08/06/92/1123080692.db2.gz WIJNQFCBCGFYQT-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC001201224683 1123081396 /nfs/dbraw/zinc/08/13/96/1123081396.db2.gz PULPKFCFDBJYFD-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM Cc1ccc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2n1 ZINC001201223165 1123081496 /nfs/dbraw/zinc/08/14/96/1123081496.db2.gz VLBMNOUYAYZXPB-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM CCC[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])[C@@H](C)CC ZINC001228686239 1131933757 /nfs/dbraw/zinc/93/37/57/1131933757.db2.gz MTYGIORJSTVWJK-ONGXEEELSA-N -1 3 282.340 3.597 20 5 CHBDHM C[C@H]1CCC[C@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233501169 1132628682 /nfs/dbraw/zinc/62/86/82/1132628682.db2.gz XENMOJZNQGWIAS-JVXZTZIISA-N -1 3 295.726 3.692 20 5 CHBDHM C[C@H]1CCC[C@@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233501170 1132629055 /nfs/dbraw/zinc/62/90/55/1132629055.db2.gz XENMOJZNQGWIAS-MADCSZMMSA-N -1 3 295.726 3.692 20 5 CHBDHM Cc1ccc([N+](=O)[O-])c(Sc2cccc([O-])c2)c1 ZINC000127926741 333638112 /nfs/dbraw/zinc/63/81/12/333638112.db2.gz IYGLDNSQRLVVID-UHFFFAOYSA-N -1 3 261.302 3.760 20 5 CHBDHM O=c1[n-]c(-c2ccc(Cl)o2)nc2cc3ccccc3cc12 ZINC000131448417 333940692 /nfs/dbraw/zinc/94/06/92/333940692.db2.gz DMGNIYSVTUUNAI-UHFFFAOYSA-N -1 3 296.713 3.990 20 5 CHBDHM O=c1[n-]ccc(Nc2ccc3c(c2)CCCCC3)c1[N+](=O)[O-] ZINC000596291247 1127487583 /nfs/dbraw/zinc/48/75/83/1127487583.db2.gz ADEMKAAVKZXNFR-UHFFFAOYSA-N -1 3 299.330 3.708 20 5 CHBDHM O=[N+]([O-])/C=C/c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001175903138 1121494511 /nfs/dbraw/zinc/49/45/11/1121494511.db2.gz MJKLGIQGZLVDNQ-AATRIKPKSA-N -1 3 292.241 3.661 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3cc(F)ccc3c2)c1 ZINC001199819151 1123040189 /nfs/dbraw/zinc/04/01/89/1123040189.db2.gz LLYXQFWRQKZQBB-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3ccccc3n2)c1 ZINC001199802458 1123041425 /nfs/dbraw/zinc/04/14/25/1123041425.db2.gz PYWPQDYOPHURHF-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3c(c2)CCC3)c1 ZINC001199828416 1123043228 /nfs/dbraw/zinc/04/32/28/1123043228.db2.gz GVBQZZMJALCBJJ-UHFFFAOYSA-N -1 3 270.288 3.533 20 5 CHBDHM C=Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201221777 1123080116 /nfs/dbraw/zinc/08/01/16/1123080116.db2.gz HBRMCIWGXJBTKQ-UHFFFAOYSA-N -1 3 256.261 3.687 20 5 CHBDHM COc1cccc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224174 1123080871 /nfs/dbraw/zinc/08/08/71/1123080871.db2.gz KGOKZLQPNDYHKP-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM CC(C)=CCC[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688331 1131934177 /nfs/dbraw/zinc/93/41/77/1131934177.db2.gz IEEMFUJQDZGTHE-SNVBAGLBSA-N -1 3 280.324 3.518 20 5 CHBDHM CCCC/C=C/[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689622 1131935423 /nfs/dbraw/zinc/93/54/23/1131935423.db2.gz UMCFEFAQFMSWMZ-QROSGCPLSA-N -1 3 280.324 3.518 20 5 CHBDHM CC[C@H](C)n1ncc([N-]c2nccc(C)c2[N+](=O)[O-])c1C ZINC000357641921 266338327 /nfs/dbraw/zinc/33/83/27/266338327.db2.gz YBWMVEISSKISBH-JTQLQIEISA-N -1 3 289.339 3.518 20 5 CHBDHM CC1(C)CCC(Sc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596205505 1127487252 /nfs/dbraw/zinc/48/72/52/1127487252.db2.gz JHUXJBCXKXOJSS-UHFFFAOYSA-N -1 3 282.365 3.756 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3ccc(F)cc3c2)c1 ZINC001199819498 1123040359 /nfs/dbraw/zinc/04/03/59/1123040359.db2.gz UTJZRHPTWTVLAH-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3scnc3c2)c1 ZINC001201222592 1123079965 /nfs/dbraw/zinc/07/99/65/1123079965.db2.gz PKHYFFLBPGJNDB-UHFFFAOYSA-N -1 3 287.300 3.654 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)cc3cccnc32)c1 ZINC001201224295 1123080585 /nfs/dbraw/zinc/08/05/85/1123080585.db2.gz LILOVROVWPYJCX-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM CC[C@@H](C)[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676324 1131932039 /nfs/dbraw/zinc/93/20/39/1131932039.db2.gz ZZQPDHMPQVAXJJ-PSASIEDQSA-N -1 3 277.324 3.593 20 5 CHBDHM CCC[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(C)(C)C ZINC001228685325 1131934038 /nfs/dbraw/zinc/93/40/38/1131934038.db2.gz GAJYVSZIWXMEGZ-NSHDSACASA-N -1 3 282.340 3.597 20 5 CHBDHM O=[N+]([O-])c1cc2[n-]c(O[C@@H]3C=CCCC3)nc2cc1Cl ZINC001233497715 1132629170 /nfs/dbraw/zinc/62/91/70/1132629170.db2.gz HKOPYPZPKUJMOR-MRVPVSSYSA-N -1 3 293.710 3.612 20 5 CHBDHM CCC(CC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233498226 1132629565 /nfs/dbraw/zinc/62/95/65/1132629565.db2.gz KPXAHIFSELSBGN-UHFFFAOYSA-N -1 3 283.715 3.692 20 5 CHBDHM CC[C@H](C)c1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000599119427 1127658690 /nfs/dbraw/zinc/65/86/90/1127658690.db2.gz JVBVBLLALQRTLU-JTQLQIEISA-N -1 3 287.319 3.953 20 5 CHBDHM Cn1c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc2ccccc21 ZINC001199818890 1123040472 /nfs/dbraw/zinc/04/04/72/1123040472.db2.gz FYKLILOTERDGJS-UHFFFAOYSA-N -1 3 283.287 3.536 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2csc3cnccc23)c1 ZINC001199814115 1123042561 /nfs/dbraw/zinc/04/25/61/1123042561.db2.gz FSSUHBVXEAXKCI-UHFFFAOYSA-N -1 3 287.300 3.654 20 5 CHBDHM CC(C)(C)c1cncc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828161 1123043167 /nfs/dbraw/zinc/04/31/67/1123043167.db2.gz BMMHCMVXWINGOP-UHFFFAOYSA-N -1 3 287.319 3.737 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(C3CCC3)nc2)c1 ZINC001199828502 1123043650 /nfs/dbraw/zinc/04/36/50/1123043650.db2.gz KLHMWYXJJRFAOS-UHFFFAOYSA-N -1 3 285.303 3.707 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(-c3cnco3)c2)c1 ZINC001201221795 1123079287 /nfs/dbraw/zinc/07/92/87/1123079287.db2.gz HXSGJWKONDUYDA-UHFFFAOYSA-N -1 3 297.270 3.699 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3c(c2)CCCC3)c1 ZINC001201224653 1123081368 /nfs/dbraw/zinc/08/13/68/1123081368.db2.gz OWGBYCUWWPOBLN-UHFFFAOYSA-N -1 3 284.315 3.923 20 5 CHBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1cccs1 ZINC001227741115 1131730605 /nfs/dbraw/zinc/73/06/05/1131730605.db2.gz HUUYEGSCNIWETG-QMMMGPOBSA-N -1 3 289.316 3.673 20 5 CHBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1cccs1 ZINC001227741115 1131730609 /nfs/dbraw/zinc/73/06/09/1131730609.db2.gz HUUYEGSCNIWETG-QMMMGPOBSA-N -1 3 289.316 3.673 20 5 CHBDHM CCCC[C@H](CCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688068 1131933364 /nfs/dbraw/zinc/93/33/64/1131933364.db2.gz DCBGGIQTADTGGM-NSHDSACASA-N -1 3 282.340 3.742 20 5 CHBDHM CCC[C@@H](C)[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688166 1131934019 /nfs/dbraw/zinc/93/40/19/1131934019.db2.gz FVCMEWPSBQFKMJ-KOLCDFICSA-N -1 3 282.340 3.597 20 5 CHBDHM CC(C)[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233499739 1132629387 /nfs/dbraw/zinc/62/93/87/1132629387.db2.gz PTDKAABLRXJEQF-ZETCQYMHSA-N -1 3 283.715 3.548 20 5 CHBDHM CCC[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233497685 1132629606 /nfs/dbraw/zinc/62/96/06/1132629606.db2.gz HFPBQUHYZHZKJY-SSDOTTSWSA-N -1 3 283.715 3.692 20 5 CHBDHM O=[N+]([O-])c1cc(F)cc(Nc2ccc(Cl)cc2[O-])c1 ZINC001216483610 1134904528 /nfs/dbraw/zinc/90/45/28/1134904528.db2.gz BGZOKHBRBCLRAP-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM CCC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225665013 1135605509 /nfs/dbraw/zinc/60/55/09/1135605509.db2.gz XAPTXOAZNDJZSV-ZDUSSCGKSA-N -1 3 288.303 3.616 20 5 CHBDHM CC(C)(C)c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596051414 1127481557 /nfs/dbraw/zinc/48/15/57/1127481557.db2.gz RCGPZOOFOXBNQJ-UHFFFAOYSA-N -1 3 287.319 3.737 20 5 CHBDHM CC1(CSc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC000596253432 1127485899 /nfs/dbraw/zinc/48/58/99/1127485899.db2.gz TXLPADYYKCFMRM-UHFFFAOYSA-N -1 3 282.365 3.758 20 5 CHBDHM CCCC[C@H](CCC)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596157006 1127484835 /nfs/dbraw/zinc/48/48/35/1127484835.db2.gz WCLAXXTTXXEVHI-NSHDSACASA-N -1 3 281.356 3.714 20 5 CHBDHM O=[N+]([O-])c1ccc(F)c(Nc2cnc3cccc([O-])c3c2)c1 ZINC001175733358 1121440273 /nfs/dbraw/zinc/44/02/73/1121440273.db2.gz ARORSIWWNVPHQQ-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3c(F)cccc3c2)c1 ZINC001199818556 1123039934 /nfs/dbraw/zinc/03/99/34/1123039934.db2.gz DJYRRJNNVZQZQO-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)nc2ccccc12 ZINC001199801700 1123041086 /nfs/dbraw/zinc/04/10/86/1123041086.db2.gz HEAQWPMYJSDDHS-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC001199828837 1123042198 /nfs/dbraw/zinc/04/21/98/1123042198.db2.gz VDFCVVMNLIVVLM-UHFFFAOYSA-N -1 3 258.277 3.661 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2Cl)c1 ZINC001199828430 1123043582 /nfs/dbraw/zinc/04/35/82/1123043582.db2.gz HNJIEJXBVGZJJH-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM Cn1ccc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC001201229109 1123079045 /nfs/dbraw/zinc/07/90/45/1123079045.db2.gz CORHGXOPHXLEFX-UHFFFAOYSA-N -1 3 283.287 3.536 20 5 CHBDHM COc1cc(Cl)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221894 1123079306 /nfs/dbraw/zinc/07/93/06/1123079306.db2.gz FNYQHZQZRGPEQJ-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM Cc1cc(F)cc(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201231484 1123079562 /nfs/dbraw/zinc/07/95/62/1123079562.db2.gz JOJDNKMZLGNSCV-UHFFFAOYSA-N -1 3 276.267 3.800 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cccc2Cl)c1 ZINC001201221392 1123079768 /nfs/dbraw/zinc/07/97/68/1123079768.db2.gz AWQWPQCAAIVERJ-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3c2CCCC3)c1 ZINC001201223391 1123080481 /nfs/dbraw/zinc/08/04/81/1123080481.db2.gz XUQDEZNEEFWQKZ-UHFFFAOYSA-N -1 3 284.315 3.923 20 5 CHBDHM CCCc1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223690 1123080655 /nfs/dbraw/zinc/08/06/55/1123080655.db2.gz FEJZBVXKLUQHIU-UHFFFAOYSA-N -1 3 272.304 3.997 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2C(F)F)c1 ZINC001201223222 1123081279 /nfs/dbraw/zinc/08/12/79/1123081279.db2.gz YCXMDZXXFXLWPY-UHFFFAOYSA-N -1 3 280.230 3.982 20 5 CHBDHM CCCCCC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692778 1131724757 /nfs/dbraw/zinc/72/47/57/1131724757.db2.gz CWBZKTWQUWNTGB-JTQLQIEISA-N -1 3 292.339 3.604 20 5 CHBDHM Cc1ccc([C@H](C)Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)cc1 ZINC001227744202 1131732712 /nfs/dbraw/zinc/73/27/12/1131732712.db2.gz DZANLTGSSALBEV-NSHDSACASA-N -1 3 297.314 3.920 20 5 CHBDHM Cc1ccc([C@H](C)Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)cc1 ZINC001227744202 1131732716 /nfs/dbraw/zinc/73/27/16/1131732716.db2.gz DZANLTGSSALBEV-NSHDSACASA-N -1 3 297.314 3.920 20 5 CHBDHM CCC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])[C@@H](C)CC ZINC001228686236 1131933421 /nfs/dbraw/zinc/93/34/21/1131933421.db2.gz MTYGIORJSTVWJK-GXSJLCMTSA-N -1 3 282.340 3.597 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3cc[nH]c3c2)c1 ZINC001159691752 1132892519 /nfs/dbraw/zinc/89/25/19/1132892519.db2.gz WQHQZPDNWZOXQR-UHFFFAOYSA-N -1 3 269.260 3.525 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3[nH]ccc32)c1 ZINC001159936445 1132927218 /nfs/dbraw/zinc/92/72/18/1132927218.db2.gz WKACWFITOWLCDW-UHFFFAOYSA-N -1 3 269.260 3.525 20 5 CHBDHM CCc1cc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1Cl ZINC001161956773 1133042737 /nfs/dbraw/zinc/04/27/37/1133042737.db2.gz AGRJAYIOGLAXLW-UHFFFAOYSA-N -1 3 294.694 3.704 20 5 CHBDHM O=[N+]([O-])c1cc(Nc2cnc3cccc([O-])c3c2)ccc1F ZINC001211191539 1134387399 /nfs/dbraw/zinc/38/73/99/1134387399.db2.gz YECFOQATXKGHTE-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM Cc1ccc(Nc2c(F)cc([O-])cc2F)c([N+](=O)[O-])c1 ZINC001214175828 1134517682 /nfs/dbraw/zinc/51/76/82/1134517682.db2.gz LACFCSKQELXWMB-UHFFFAOYSA-N -1 3 280.230 3.631 20 5 CHBDHM O=[N+]([O-])c1cccc(F)c1Sc1cccc([O-])c1 ZINC000336785517 329557711 /nfs/dbraw/zinc/55/77/11/329557711.db2.gz DWWPBIMGIDQNDG-UHFFFAOYSA-N -1 3 265.265 3.591 20 5 CHBDHM CC(C=Cc1nc(C)cc(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1 ZINC000486123362 1126971880 /nfs/dbraw/zinc/97/18/80/1126971880.db2.gz MNNLNONPUIGRQE-VEQVDCDKSA-N -1 3 297.314 3.516 20 5 CHBDHM CCC[C@H](C)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)on1 ZINC001199802758 1123041295 /nfs/dbraw/zinc/04/12/95/1123041295.db2.gz XWLZWYKAPLGDGQ-VIFPVBQESA-N -1 3 291.307 3.936 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3c2CCC3)c1 ZINC001199828125 1123043514 /nfs/dbraw/zinc/04/35/14/1123043514.db2.gz ATHAGJHCZASBOP-UHFFFAOYSA-N -1 3 270.288 3.533 20 5 CHBDHM CCc1ccc(OC)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201229305 1123078581 /nfs/dbraw/zinc/07/85/81/1123078581.db2.gz LTDSZVSFSOAPPG-UHFFFAOYSA-N -1 3 288.303 3.615 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3cncc(F)c32)c1 ZINC001201229253 1123078930 /nfs/dbraw/zinc/07/89/30/1123078930.db2.gz JLZIHMUFIZSPAU-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM CCc1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224633 1123080628 /nfs/dbraw/zinc/08/06/28/1123080628.db2.gz OOXMOBUQBCSGII-UHFFFAOYSA-N -1 3 258.277 3.606 20 5 CHBDHM CCc1cccc(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224003 1123081065 /nfs/dbraw/zinc/08/10/65/1123081065.db2.gz HEZITTNKOHXYFJ-UHFFFAOYSA-N -1 3 272.304 3.915 20 5 CHBDHM Cc1cc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201224112 1123081344 /nfs/dbraw/zinc/08/13/44/1123081344.db2.gz IMPLLYVIAAJSLK-UHFFFAOYSA-N -1 3 280.230 3.631 20 5 CHBDHM Cc1ccccc1[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227742472 1131732931 /nfs/dbraw/zinc/73/29/31/1131732931.db2.gz AJQFGBCTOUVVOC-NSHDSACASA-N -1 3 297.314 3.920 20 5 CHBDHM Cc1ccccc1[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227742472 1131732936 /nfs/dbraw/zinc/73/29/36/1131732936.db2.gz AJQFGBCTOUVVOC-NSHDSACASA-N -1 3 297.314 3.920 20 5 CHBDHM Cc1cc2[n-]c(O[C@@H](C)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC001228671755 1131932289 /nfs/dbraw/zinc/93/22/89/1131932289.db2.gz KZJVCNKDLOUERG-NSHDSACASA-N -1 3 297.314 3.920 20 5 CHBDHM CC[C@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)C(C)C ZINC001228678673 1131932756 /nfs/dbraw/zinc/93/27/56/1131932756.db2.gz YAFLHDURXLULMI-ZDUSSCGKSA-N -1 3 277.324 3.593 20 5 CHBDHM CC[C@H](C)C[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687325 1131933341 /nfs/dbraw/zinc/93/33/41/1131933341.db2.gz VQKHUYCAIGOSJY-ONGXEEELSA-N -1 3 282.340 3.597 20 5 CHBDHM O=[N+]([O-])c1cc2[n-]c(O[C@H]3C=CCCC3)nc2cc1Cl ZINC001233497717 1132629112 /nfs/dbraw/zinc/62/91/12/1132629112.db2.gz HKOPYPZPKUJMOR-QMMMGPOBSA-N -1 3 293.710 3.612 20 5 CHBDHM CC(C)[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233499736 1132629643 /nfs/dbraw/zinc/62/96/43/1132629643.db2.gz PTDKAABLRXJEQF-SSDOTTSWSA-N -1 3 283.715 3.548 20 5 CHBDHM Cc1cccc2sc([N-]c3ccc([N+](=O)[O-])nc3)nc21 ZINC001203560979 1133340284 /nfs/dbraw/zinc/34/02/84/1133340284.db2.gz SDHDSETZCASQLQ-UHFFFAOYSA-N -1 3 286.316 3.652 20 5 CHBDHM O=[N+]([O-])c1cccc(Nc2ccc(Cl)cc2[O-])c1 ZINC001204468880 1133451503 /nfs/dbraw/zinc/45/15/03/1133451503.db2.gz LKLNXVYTGHANGY-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM O=[N+]([O-])c1cc(F)ccc1Nc1cccc(Cl)c1[O-] ZINC001210954212 1134338671 /nfs/dbraw/zinc/33/86/71/1134338671.db2.gz YNOXGODRKUFLEQ-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM CC(C)[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596197219 1127484886 /nfs/dbraw/zinc/48/48/86/1127484886.db2.gz USSQSGDYQUPHKC-VXGBXAGGSA-N -1 3 293.367 3.712 20 5 CHBDHM O=c1[n-]ccc(Nc2cccc(C3CCC3)c2)c1[N+](=O)[O-] ZINC000596242185 1127486226 /nfs/dbraw/zinc/48/62/26/1127486226.db2.gz QDNYEBROLRLMKE-UHFFFAOYSA-N -1 3 285.303 3.707 20 5 CHBDHM O=C([N-]c1ccsc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000187831474 1120040950 /nfs/dbraw/zinc/04/09/50/1120040950.db2.gz ANXITFVBTPXUBF-UHFFFAOYSA-N -1 3 288.737 3.624 20 5 CHBDHM COc1ccc(Nc2cccc([O-])c2Cl)cc1[N+](=O)[O-] ZINC001176363561 1121614275 /nfs/dbraw/zinc/61/42/75/1121614275.db2.gz RWEITLHOSIUHLM-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM CC(C)(C)Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)on1 ZINC001199802788 1123041041 /nfs/dbraw/zinc/04/10/41/1123041041.db2.gz YKWLOTQEIALDNE-UHFFFAOYSA-N -1 3 291.307 3.621 20 5 CHBDHM COc1c(Cl)cccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828736 1123042489 /nfs/dbraw/zinc/04/24/89/1123042489.db2.gz QSBACTYQACNNDT-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3ncsc3c2)c1 ZINC001199828519 1123043732 /nfs/dbraw/zinc/04/37/32/1123043732.db2.gz LAXHIKRXIMTOEO-UHFFFAOYSA-N -1 3 287.300 3.654 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(-c3ncco3)cc2)c1 ZINC001201229144 1123078822 /nfs/dbraw/zinc/07/88/22/1123078822.db2.gz DLXXUHBIPKBVRI-UHFFFAOYSA-N -1 3 297.270 3.699 20 5 CHBDHM Cc1ccnc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc12 ZINC001201224018 1123080439 /nfs/dbraw/zinc/08/04/39/1123080439.db2.gz HPXVOQMXSXPCLX-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM Cc1cc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC001201224887 1123080507 /nfs/dbraw/zinc/08/05/07/1123080507.db2.gz VJMPBXIUOKGHLJ-UHFFFAOYSA-N -1 3 272.304 3.969 20 5 CHBDHM CC[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(C)(C)C ZINC001227746256 1131733752 /nfs/dbraw/zinc/73/37/52/1131733752.db2.gz QYGGHPPQJULXRX-GFCCVEGCSA-N -1 3 277.324 3.675 20 5 CHBDHM CC[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(C)(C)C ZINC001227746256 1131733755 /nfs/dbraw/zinc/73/37/55/1131733755.db2.gz QYGGHPPQJULXRX-GFCCVEGCSA-N -1 3 277.324 3.675 20 5 CHBDHM CCC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(C)(C)C ZINC001228685324 1131933564 /nfs/dbraw/zinc/93/35/64/1131933564.db2.gz GAJYVSZIWXMEGZ-LLVKDONJSA-N -1 3 282.340 3.597 20 5 CHBDHM CC[C@H](C[C@@H](C)CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687322 1131934223 /nfs/dbraw/zinc/93/42/23/1131934223.db2.gz VQKHUYCAIGOSJY-GXSJLCMTSA-N -1 3 282.340 3.597 20 5 CHBDHM C[C@@H]1CC[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233497842 1132629007 /nfs/dbraw/zinc/62/90/07/1132629007.db2.gz IMNUQQBWVXTOTD-SFYZADRCSA-N -1 3 295.726 3.692 20 5 CHBDHM C[C@@H]1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233497839 1132629234 /nfs/dbraw/zinc/62/92/34/1132629234.db2.gz IMNUQQBWVXTOTD-HTQZYQBOSA-N -1 3 295.726 3.692 20 5 CHBDHM Cc1nc([N-]c2ccc(F)cc2[N+](=O)[O-])sc1C ZINC001210948769 1134337135 /nfs/dbraw/zinc/33/71/35/1134337135.db2.gz BNANNHNVHJYFRV-UHFFFAOYSA-N -1 3 267.285 3.551 20 5 CHBDHM O=[N+]([O-])c1cc(F)ccc1Nc1cc([O-])ccc1Cl ZINC001210954110 1134339538 /nfs/dbraw/zinc/33/95/38/1134339538.db2.gz WRHKALUJKPCKKF-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc(Nc2cccc([O-])c2Cl)ccc1F ZINC001211192192 1134386954 /nfs/dbraw/zinc/38/69/54/1134386954.db2.gz JCHKDAYOZCXZLE-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM Cc1ccc([N-]c2nc(Cl)cnc2Cl)c([N+](=O)[O-])c1 ZINC001214167235 1134515607 /nfs/dbraw/zinc/51/56/07/1134515607.db2.gz BYQPZNXVGFIFKL-UHFFFAOYSA-N -1 3 299.117 3.744 20 5 CHBDHM O=[N+]([O-])c1cc(F)cc(Nc2c([O-])cccc2Cl)c1 ZINC001216483698 1134904007 /nfs/dbraw/zinc/90/40/07/1134904007.db2.gz HDBJRQDVQIRTJM-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(C3CCCC3)no2)c1 ZINC001199802470 1123041020 /nfs/dbraw/zinc/04/10/20/1123041020.db2.gz QSTQSCNHHAZSRC-UHFFFAOYSA-N -1 3 289.291 3.690 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3ccccc3)no2)c1 ZINC001199802653 1123041030 /nfs/dbraw/zinc/04/10/30/1123041030.db2.gz WLGIDPJVYRFYJT-UHFFFAOYSA-N -1 3 297.270 3.699 20 5 CHBDHM CCC[C@@H](C)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)on1 ZINC001199802756 1123041071 /nfs/dbraw/zinc/04/10/71/1123041071.db2.gz XWLZWYKAPLGDGQ-SECBINFHSA-N -1 3 291.307 3.936 20 5 CHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(C)c1F ZINC001201221541 1123079761 /nfs/dbraw/zinc/07/97/61/1123079761.db2.gz AKCLGMCSTUFQGA-UHFFFAOYSA-N -1 3 276.267 3.800 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)cc2F)c1 ZINC001201221499 1123079849 /nfs/dbraw/zinc/07/98/49/1123079849.db2.gz COIIEJCWRWXXAR-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM Cc1c(F)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201225083 1123080806 /nfs/dbraw/zinc/08/08/06/1123080806.db2.gz ZOXSLVDOXAYVCM-UHFFFAOYSA-N -1 3 280.230 3.631 20 5 CHBDHM COc1cc(Cl)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224291 1123081309 /nfs/dbraw/zinc/08/13/09/1123081309.db2.gz LBDKVDAGWJYNJJ-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM Cc1[n-]c(=O)cc(OC2CCC(C(C)C)CC2)c1[N+](=O)[O-] ZINC001228687465 1131933244 /nfs/dbraw/zinc/93/32/44/1131933244.db2.gz XLJRSEDTNIMDIG-UHFFFAOYSA-N -1 3 294.351 3.597 20 5 CHBDHM C[C@H](Oc1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC001233870526 1132690751 /nfs/dbraw/zinc/69/07/51/1132690751.db2.gz FLLXZOVAVPCHIW-VIFPVBQESA-N -1 3 277.251 3.580 20 5 CHBDHM CC[C@H](C)n1ncc([N-]c2ncc(C)cc2[N+](=O)[O-])c1C ZINC000357635344 328873851 /nfs/dbraw/zinc/87/38/51/328873851.db2.gz FACBEKLQYCNZOF-JTQLQIEISA-N -1 3 289.339 3.518 20 5 CHBDHM O=[N+]([O-])c1ccc(F)c(Nc2cccc([O-])c2Cl)c1 ZINC001175738632 1121444159 /nfs/dbraw/zinc/44/41/59/1121444159.db2.gz OGTWFDBWWDPTCH-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM Cc1nc2ccccc2cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814436 1123042112 /nfs/dbraw/zinc/04/21/12/1123042112.db2.gz KJWWTEFEYGLZGX-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncc(C3CCC3)c2)c1 ZINC001199828265 1123043894 /nfs/dbraw/zinc/04/38/94/1123043894.db2.gz FAQLQUYVHHYUES-UHFFFAOYSA-N -1 3 285.303 3.707 20 5 CHBDHM Cc1cc(F)c(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221557 1123079334 /nfs/dbraw/zinc/07/93/34/1123079334.db2.gz AQSNPEPKVYBUTL-UHFFFAOYSA-N -1 3 280.230 3.631 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)c(Cl)c2)c1 ZINC001201222715 1123079606 /nfs/dbraw/zinc/07/96/06/1123079606.db2.gz PUDHHIIJEQDQGB-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3cc(F)cnc32)c1 ZINC001201230060 1123079723 /nfs/dbraw/zinc/07/97/23/1123079723.db2.gz WIRQVSZIHPASQN-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(OC(F)F)c2)c1 ZINC001201221670 1123079730 /nfs/dbraw/zinc/07/97/30/1123079730.db2.gz CXYPFTCXHZJCAI-UHFFFAOYSA-N -1 3 296.229 3.645 20 5 CHBDHM CC[C@@H](C)C[C@@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687324 1131933672 /nfs/dbraw/zinc/93/36/72/1131933672.db2.gz VQKHUYCAIGOSJY-MWLCHTKSSA-N -1 3 282.340 3.597 20 5 CHBDHM CC/C=C(\C)[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689062 1131933863 /nfs/dbraw/zinc/93/38/63/1131933863.db2.gz PCCQMYGXXXFJRZ-DJYGCBNOSA-N -1 3 280.324 3.518 20 5 CHBDHM CCCC/C=C/[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689618 1131935876 /nfs/dbraw/zinc/93/58/76/1131935876.db2.gz UMCFEFAQFMSWMZ-JARNTUPDSA-N -1 3 280.324 3.518 20 5 CHBDHM O=[N+]([O-])c1ccccc1Nc1cc([O-])cc(Cl)c1 ZINC001206172128 1132292669 /nfs/dbraw/zinc/29/26/69/1132292669.db2.gz DAKBAOUNXNPMKY-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM CC(=O)c1ccc(Nc2ccc(C)cc2[N+](=O)[O-])cc1[O-] ZINC001214174342 1134516467 /nfs/dbraw/zinc/51/64/67/1134516467.db2.gz QICFOPCBDSTLOV-UHFFFAOYSA-N -1 3 286.287 3.555 20 5 CHBDHM O=[N+]([O-])c1cc(F)cc(Nc2cccc([O-])c2Cl)c1 ZINC001216484102 1134904681 /nfs/dbraw/zinc/90/46/81/1134904681.db2.gz DWIFILGOXFPLSD-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM C[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])c1cccs1 ZINC001226337341 1135685846 /nfs/dbraw/zinc/68/58/46/1135685846.db2.gz XVOGRPMYDAGZNW-MRVPVSSYSA-N -1 3 265.290 3.502 20 5 CHBDHM O=[N+]([O-])c1cc(Cl)cnc1Sc1cccc([O-])c1 ZINC000130415048 329624892 /nfs/dbraw/zinc/62/48/92/329624892.db2.gz GLDCPDAZNRWOOG-UHFFFAOYSA-N -1 3 282.708 3.500 20 5 CHBDHM CC(C)(C)c1cccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596051217 1127481666 /nfs/dbraw/zinc/48/16/66/1127481666.db2.gz VSWWVTWJQUEZDG-UHFFFAOYSA-N -1 3 288.303 3.785 20 5 CHBDHM CCC1(CC)CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596205685 1127487303 /nfs/dbraw/zinc/48/73/03/1127487303.db2.gz FXUJYYSOXJIYRP-UHFFFAOYSA-N -1 3 293.367 3.856 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3cnccc3c2)c1 ZINC001201222696 1123079742 /nfs/dbraw/zinc/07/97/42/1123079742.db2.gz PLTQKVOIUBEUHR-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM COc1cc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC001201224299 1123080676 /nfs/dbraw/zinc/08/06/76/1123080676.db2.gz LLJDCRGSPSSOSW-UHFFFAOYSA-N -1 3 288.303 3.669 20 5 CHBDHM Cc1cc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)c1N ZINC001201222943 1123080788 /nfs/dbraw/zinc/08/07/88/1123080788.db2.gz TYPPHVOUQVZLPI-UHFFFAOYSA-N -1 3 287.319 3.551 20 5 CHBDHM CCC[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])[C@H](C)CC ZINC001228686237 1131933788 /nfs/dbraw/zinc/93/37/88/1131933788.db2.gz MTYGIORJSTVWJK-KOLCDFICSA-N -1 3 282.340 3.597 20 5 CHBDHM CC(C)c1cccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001161929510 1133039008 /nfs/dbraw/zinc/03/90/08/1133039008.db2.gz BHJCYSOMGWLSNS-UHFFFAOYSA-N -1 3 274.276 3.611 20 5 CHBDHM O=[N+]([O-])c1cc(F)ccc1Nc1cc([O-])cc(Cl)c1 ZINC001210953723 1134337896 /nfs/dbraw/zinc/33/78/96/1134337896.db2.gz QNNVUTYESAPDHW-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM CC1(C)C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000596168826 1127485005 /nfs/dbraw/zinc/48/50/05/1127485005.db2.gz XTPFAWHSMNFMQY-ZDUSSCGKSA-N -1 3 299.330 3.530 20 5 CHBDHM COc1ccc([N+](=O)[O-])cc1Nc1cccc([O-])c1Cl ZINC001210445552 1118284410 /nfs/dbraw/zinc/28/44/10/1118284410.db2.gz DEEQOYSZNZIXBF-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM CC(=O)c1ccc(Sc2cccc([O-])c2)c([N+](=O)[O-])c1 ZINC000302114885 1120648046 /nfs/dbraw/zinc/64/80/46/1120648046.db2.gz CFLMLCCZWZCOSA-UHFFFAOYSA-N -1 3 289.312 3.654 20 5 CHBDHM O=c1[n-]ccc(SCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001184571914 1122284375 /nfs/dbraw/zinc/28/43/75/1122284375.db2.gz GIKJSXTUSVDPCE-UHFFFAOYSA-N -1 3 296.735 3.641 20 5 CHBDHM CC(C)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199815069 1123042120 /nfs/dbraw/zinc/04/21/20/1123042120.db2.gz SGFUSNYGDCBDBC-UHFFFAOYSA-N -1 3 273.292 3.562 20 5 CHBDHM Cc1cc(C)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828419 1123043680 /nfs/dbraw/zinc/04/36/80/1123043680.db2.gz GZOSYRXDDGGKQB-UHFFFAOYSA-N -1 3 258.277 3.661 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3cccnc32)c1 ZINC001199828216 1123043905 /nfs/dbraw/zinc/04/39/05/1123043905.db2.gz CPBOSIKDLOTEER-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc3ccccc3cc2O)c1 ZINC001201221717 1123079981 /nfs/dbraw/zinc/07/99/81/1123079981.db2.gz DLBGVQYGADHLNT-UHFFFAOYSA-N -1 3 296.282 3.903 20 5 CHBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCc4ccccc43)[n-]c2c1 ZINC001227741309 1131731530 /nfs/dbraw/zinc/73/15/30/1131731530.db2.gz LURYXXFFKRUSRD-OAHLLOKOSA-N -1 3 295.298 3.537 20 5 CHBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCc4ccccc43)nc2c1 ZINC001227741309 1131731536 /nfs/dbraw/zinc/73/15/36/1131731536.db2.gz LURYXXFFKRUSRD-OAHLLOKOSA-N -1 3 295.298 3.537 20 5 CHBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CCC=CCCC3)[n-]c2c1 ZINC001227745376 1131732358 /nfs/dbraw/zinc/73/23/58/1131732358.db2.gz MPZCRYLMQVJMJB-LBPRGKRZSA-N -1 3 287.319 3.739 20 5 CHBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCC=CCCC3)nc2c1 ZINC001227745376 1131732362 /nfs/dbraw/zinc/73/23/62/1131732362.db2.gz MPZCRYLMQVJMJB-LBPRGKRZSA-N -1 3 287.319 3.739 20 5 CHBDHM O=[N+]([O-])c1ccc([N-]c2ncc(-c3ccccc3)s2)cn1 ZINC001203561496 1133339923 /nfs/dbraw/zinc/33/99/23/1133339923.db2.gz YCRVFXBVTIDCGQ-UHFFFAOYSA-N -1 3 298.327 3.857 20 5 CHBDHM CC1(C)CC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000596184688 1127484449 /nfs/dbraw/zinc/48/44/49/1127484449.db2.gz UATYDKZIAYQUAW-UHFFFAOYSA-N -1 3 293.367 3.712 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)cc2Cl)c1 ZINC001201221270 1123079679 /nfs/dbraw/zinc/07/96/79/1123079679.db2.gz AAWSVWFITXXFMU-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(F)c2Cl)c1 ZINC001201222829 1123079754 /nfs/dbraw/zinc/07/97/54/1123079754.db2.gz STFWASMUZYFKJB-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM CSc1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222384 1123079787 /nfs/dbraw/zinc/07/97/87/1123079787.db2.gz MQEUCWPVPDBLBE-UHFFFAOYSA-N -1 3 276.317 3.766 20 5 CHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(C)c1C ZINC001201223684 1123080618 /nfs/dbraw/zinc/08/06/18/1123080618.db2.gz FEBLLZDQNYJSDI-UHFFFAOYSA-N -1 3 272.304 3.969 20 5 CHBDHM CCCCCC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686029 1131933495 /nfs/dbraw/zinc/93/34/95/1131933495.db2.gz LKYXHIWBUVLDNX-JTQLQIEISA-N -1 3 282.340 3.742 20 5 CHBDHM CC[C@@H](C)C[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687323 1131933703 /nfs/dbraw/zinc/93/37/03/1131933703.db2.gz VQKHUYCAIGOSJY-KOLCDFICSA-N -1 3 282.340 3.597 20 5 CHBDHM Cc1ccc([N-]c2ncc(Cl)nc2Cl)c([N+](=O)[O-])c1 ZINC001214165501 1134515255 /nfs/dbraw/zinc/51/52/55/1134515255.db2.gz VJSBFRIPFUITKI-UHFFFAOYSA-N -1 3 299.117 3.744 20 5 CHBDHM O=[N+]([O-])c1c(Sc2cccc([O-])c2)ccc2ncccc21 ZINC000130424267 260395740 /nfs/dbraw/zinc/39/57/40/260395740.db2.gz GIIPNROKPPDQAH-UHFFFAOYSA-N -1 3 298.323 4.000 20 5 CHBDHM CC(C)CC(CC(C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596107833 1127484406 /nfs/dbraw/zinc/48/44/06/1127484406.db2.gz PPRBBUISFFNZFT-UHFFFAOYSA-N -1 3 281.356 3.568 20 5 CHBDHM CC(C)[C@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596197213 1127484740 /nfs/dbraw/zinc/48/47/40/1127484740.db2.gz USSQSGDYQUPHKC-NWDGAFQWSA-N -1 3 293.367 3.712 20 5 CHBDHM Cc1csc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)n1 ZINC000183645325 1118047232 /nfs/dbraw/zinc/04/72/32/1118047232.db2.gz RINVQTUMAFZHAS-UHFFFAOYSA-N -1 3 293.351 3.508 20 5 CHBDHM O=[N+]([O-])c1cccc(Nc2cccc([O-])c2Cl)c1F ZINC001210383948 1118267734 /nfs/dbraw/zinc/26/77/34/1118267734.db2.gz DLQRSPSPFNTLPS-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1ccc(F)c(Nc2ccc(Cl)cc2[O-])c1 ZINC001175737202 1121442794 /nfs/dbraw/zinc/44/27/94/1121442794.db2.gz WKAWHZNXLVHYKJ-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nccc3ccccc32)c1 ZINC001199800742 1123041230 /nfs/dbraw/zinc/04/12/30/1123041230.db2.gz FWIAIVUZTAWDTK-UHFFFAOYSA-N -1 3 281.271 3.592 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3ncc(F)cc32)c1 ZINC001201230063 1123079525 /nfs/dbraw/zinc/07/95/25/1123079525.db2.gz WJOPPQVVHPEYLY-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM CCOc1ccc(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223116 1123080126 /nfs/dbraw/zinc/08/01/26/1123080126.db2.gz UMDOKRXRTUGRST-UHFFFAOYSA-N -1 3 292.266 3.582 20 5 CHBDHM O=[N+]([O-])c1ccc2nc(OC3CCCCCC3)[n-]c2c1 ZINC001227747244 1123864269 /nfs/dbraw/zinc/86/42/69/1123864269.db2.gz YZJOMBQJCYHZHM-UHFFFAOYSA-N -1 3 275.308 3.573 20 5 CHBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CCCCCC3)nc2c1 ZINC001227747244 1123864275 /nfs/dbraw/zinc/86/42/75/1123864275.db2.gz YZJOMBQJCYHZHM-UHFFFAOYSA-N -1 3 275.308 3.573 20 5 CHBDHM C[C@@H](Oc1nc2ccsc2[n-]1)c1ccccc1[N+](=O)[O-] ZINC001234846922 1130680933 /nfs/dbraw/zinc/68/09/33/1130680933.db2.gz DVGSLSSWBZNZAN-MRVPVSSYSA-N -1 3 289.316 3.673 20 5 CHBDHM C[C@@H](Oc1nc2sccc2[n-]1)c1ccccc1[N+](=O)[O-] ZINC001234846922 1130680935 /nfs/dbraw/zinc/68/09/35/1130680935.db2.gz DVGSLSSWBZNZAN-MRVPVSSYSA-N -1 3 289.316 3.673 20 5 CHBDHM Cc1[n-]c(=O)cc(O[C@@H](C)CCCC(C)C)c1[N+](=O)[O-] ZINC001228689971 1131934839 /nfs/dbraw/zinc/93/48/39/1131934839.db2.gz YIDXHIIJVMUIAB-JTQLQIEISA-N -1 3 282.340 3.597 20 5 CHBDHM C[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C1CCC1 ZINC001233497316 1132628664 /nfs/dbraw/zinc/62/86/64/1132628664.db2.gz GLSUIZLCJJYWLE-SSDOTTSWSA-N -1 3 295.726 3.692 20 5 CHBDHM O=[N+]([O-])c1cccc(Nc2c([O-])cccc2Cl)c1F ZINC001210384248 1134204813 /nfs/dbraw/zinc/20/48/13/1134204813.db2.gz JKMRDZPMUHFJLO-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM O=[N+]([O-])c1cc(F)cc(Nc2cnc3cccc([O-])c3c2)c1 ZINC001216483065 1134903933 /nfs/dbraw/zinc/90/39/33/1134903933.db2.gz YSQBCTKLLFTIPQ-UHFFFAOYSA-N -1 3 299.261 3.731 20 5 CHBDHM CC[C@@H](C)n1ncc([N-]c2nc(C)ccc2[N+](=O)[O-])c1C ZINC000357635633 328873837 /nfs/dbraw/zinc/87/38/37/328873837.db2.gz NEVZSEDORYSDHO-SNVBAGLBSA-N -1 3 289.339 3.518 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnccc2C2CCC2)c1 ZINC001199828908 1123042741 /nfs/dbraw/zinc/04/27/41/1123042741.db2.gz YLMQCUJJAOYWES-UHFFFAOYSA-N -1 3 285.303 3.707 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)c(F)c2)c1 ZINC001201221441 1123080138 /nfs/dbraw/zinc/08/01/38/1123080138.db2.gz BOLSTFBGIKTYEG-UHFFFAOYSA-N -1 3 282.658 3.837 20 5 CHBDHM Cc1cc(N)c(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223757 1123081052 /nfs/dbraw/zinc/08/10/52/1123081052.db2.gz FVYWUEAPTMFKNY-UHFFFAOYSA-N -1 3 293.710 3.588 20 5 CHBDHM CC(=O)c1ccc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224977 1123081376 /nfs/dbraw/zinc/08/13/76/1123081376.db2.gz XUSKUPLFWDJDAS-UHFFFAOYSA-N -1 3 286.287 3.555 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3sncc3c2)c1 ZINC001201224878 1123081521 /nfs/dbraw/zinc/08/15/21/1123081521.db2.gz UZBKSMNUJCHYCL-UHFFFAOYSA-N -1 3 287.300 3.654 20 5 CHBDHM Cc1ccc([C@@H](C)Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)cc1 ZINC001227744201 1131733013 /nfs/dbraw/zinc/73/30/13/1131733013.db2.gz DZANLTGSSALBEV-LLVKDONJSA-N -1 3 297.314 3.920 20 5 CHBDHM Cc1ccc([C@@H](C)Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)cc1 ZINC001227744201 1131733019 /nfs/dbraw/zinc/73/30/19/1131733019.db2.gz DZANLTGSSALBEV-LLVKDONJSA-N -1 3 297.314 3.920 20 5 CHBDHM Cc1cc2[n-]c(O[C@@H](C)CC(C)C)nc2cc1[N+](=O)[O-] ZINC001228673244 1131932058 /nfs/dbraw/zinc/93/20/58/1131932058.db2.gz CYANUJWOMLPDSA-JTQLQIEISA-N -1 3 277.324 3.593 20 5 CHBDHM CC[C@H](C)[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676327 1131932151 /nfs/dbraw/zinc/93/21/51/1131932151.db2.gz ZZQPDHMPQVAXJJ-WPRPVWTQSA-N -1 3 277.324 3.593 20 5 CHBDHM CCC[C@H](C)[C@@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688162 1131934050 /nfs/dbraw/zinc/93/40/50/1131934050.db2.gz FVCMEWPSBQFKMJ-GXSJLCMTSA-N -1 3 282.340 3.597 20 5 CHBDHM CC(C)(C)c1nnc([N-]c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC001216480925 1134903311 /nfs/dbraw/zinc/90/33/11/1134903311.db2.gz OKIZHVWQJHERET-UHFFFAOYSA-N -1 3 296.327 3.627 20 5 CHBDHM CC(C=Cc1nc(C)cc(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1 ZINC000486123359 1126971818 /nfs/dbraw/zinc/97/18/18/1126971818.db2.gz MNNLNONPUIGRQE-BQGCWICQSA-N -1 3 297.314 3.516 20 5 CHBDHM O=c1[n-]ccc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC001184618082 1122289373 /nfs/dbraw/zinc/28/93/73/1122289373.db2.gz YIZUHVMGQAPNKU-UHFFFAOYSA-N -1 3 282.255 3.641 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(OC(F)F)cc2)c1 ZINC001199828452 1123043192 /nfs/dbraw/zinc/04/31/92/1123043192.db2.gz ILRQCUSMASEKIB-UHFFFAOYSA-N -1 3 296.229 3.645 20 5 CHBDHM CCC(=O)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201230038 1123079086 /nfs/dbraw/zinc/07/90/86/1123079086.db2.gz VLAMDPKRKKBJAA-UHFFFAOYSA-N -1 3 286.287 3.637 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2-n2cccc2)c1 ZINC001201223341 1123080513 /nfs/dbraw/zinc/08/05/13/1123080513.db2.gz XFOYOKITHYGHJN-UHFFFAOYSA-N -1 3 295.298 3.835 20 5 CHBDHM CC/C=C(\C)[C@@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689063 1131935122 /nfs/dbraw/zinc/93/51/22/1131935122.db2.gz PCCQMYGXXXFJRZ-MXMFLMJRSA-N -1 3 280.324 3.518 20 5 CHBDHM Cc1ccc(Nc2ccc(N)c([N+](=O)[O-])c2)c(Cl)c1[O-] ZINC001209937343 1134104335 /nfs/dbraw/zinc/10/43/35/1134104335.db2.gz ATESBVBSGKGUHF-UHFFFAOYSA-N -1 3 293.710 3.588 20 5 CHBDHM Cc1ccc(Nc2ccc([O-])c(F)c2F)c([N+](=O)[O-])c1 ZINC001214172155 1134516565 /nfs/dbraw/zinc/51/65/65/1134516565.db2.gz WFSFIYSPBVNLCJ-UHFFFAOYSA-N -1 3 280.230 3.631 20 5 CHBDHM Cc1cc([N-]c2c(Cl)ccc([N+](=O)[O-])c2Cl)on1 ZINC001215581759 1134647854 /nfs/dbraw/zinc/64/78/54/1134647854.db2.gz QKGJWJBISVOHQA-UHFFFAOYSA-N -1 3 288.090 3.942 20 5 CHBDHM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000217493346 333121243 /nfs/dbraw/zinc/12/12/43/333121243.db2.gz YZTZRQVCRNXMTN-UHFFFAOYSA-N -1 3 296.685 3.705 20 5 CHBDHM O=[N+]([O-])c1ccc(Sc2cccc([O-])c2)c(F)c1 ZINC000130425655 527377978 /nfs/dbraw/zinc/37/79/78/527377978.db2.gz ZYDCLSDPQMEFAK-UHFFFAOYSA-N -1 3 265.265 3.591 20 5 CHBDHM CCC(CC)[C@@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685368 1131934440 /nfs/dbraw/zinc/93/44/40/1131934440.db2.gz GNPCDPZTRBCDAJ-LLVKDONJSA-N -1 3 282.340 3.597 20 5 CHBDHM CC(C)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000596214150 1127485555 /nfs/dbraw/zinc/48/55/55/1127485555.db2.gz NNJLQXRCAAVIGO-LBPRGKRZSA-N -1 3 299.330 3.587 20 5 CHBDHM O=[N+]([O-])/C=C/c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001175902938 1121494101 /nfs/dbraw/zinc/49/41/01/1121494101.db2.gz XTTYBMNMZVXHHU-BQYQJAHWSA-N -1 3 292.241 3.661 20 5 CHBDHM Cc1cccc(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828462 1123043410 /nfs/dbraw/zinc/04/34/10/1123043410.db2.gz JBDJXEXFCHGCSW-UHFFFAOYSA-N -1 3 258.277 3.661 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)cc2)c1 ZINC001199828513 1123043719 /nfs/dbraw/zinc/04/37/19/1123043719.db2.gz KUBOGHFHMKAPAQ-UHFFFAOYSA-N -1 3 264.668 3.697 20 5 CHBDHM CCc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222400 1123079367 /nfs/dbraw/zinc/07/93/67/1123079367.db2.gz NLWFVADHBZDOJE-UHFFFAOYSA-N -1 3 258.277 3.606 20 5 CHBDHM Cc1ccc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2n1 ZINC001201222747 1123079436 /nfs/dbraw/zinc/07/94/36/1123079436.db2.gz QHYUZJGSUVORFD-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3ccc(O)cc32)c1 ZINC001201222487 1123079448 /nfs/dbraw/zinc/07/94/48/1123079448.db2.gz NDHWBLIQCLYGOZ-UHFFFAOYSA-N -1 3 296.282 3.903 20 5 CHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3c(c2)N=NC3)c1 ZINC001201232962 1123079808 /nfs/dbraw/zinc/07/98/08/1123079808.db2.gz WGHCGXZNFUNSNT-UHFFFAOYSA-N -1 3 270.248 3.641 20 5 CHBDHM CCOc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001201222044 1123079890 /nfs/dbraw/zinc/07/98/90/1123079890.db2.gz JNPWQCZNCKTZQV-UHFFFAOYSA-N -1 3 292.266 3.582 20 5 CHBDHM CCCC[C@@H](CCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688067 1131934131 /nfs/dbraw/zinc/93/41/31/1131934131.db2.gz DCBGGIQTADTGGM-LLVKDONJSA-N -1 3 282.340 3.742 20 5 CHBDHM CC[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C1CCCCC1 ZINC001228688653 1131934377 /nfs/dbraw/zinc/93/43/77/1131934377.db2.gz MCWZTNUVVIRBDM-LBPRGKRZSA-N -1 3 294.351 3.742 20 5 CHBDHM COc1ccc([N+](=O)[O-])cc1Nc1ccc(Cl)cc1[O-] ZINC001210447109 1134216143 /nfs/dbraw/zinc/21/61/43/1134216143.db2.gz XENQSZIEWSWKKE-UHFFFAOYSA-N -1 3 294.694 3.706 20 5 CHBDHM Cc1ccc([N+](=O)[O-])cc1Nc1cc([O-])c(F)cc1F ZINC001211288895 1134403871 /nfs/dbraw/zinc/40/38/71/1134403871.db2.gz CDOLGYIRRXRSQC-UHFFFAOYSA-N -1 3 280.230 3.631 20 5 CHBDHM Cc1ccc([N+](=O)[O-])cc1Nc1cnc2cccc([O-])c2c1 ZINC001211288579 1134403925 /nfs/dbraw/zinc/40/39/25/1134403925.db2.gz YUSRCCADEKGMOQ-UHFFFAOYSA-N -1 3 295.298 3.901 20 5 CHBDHM Cc1ccc([N-]c2nc3c(s2)CCC3)c([N+](=O)[O-])c1 ZINC001214165368 1134515233 /nfs/dbraw/zinc/51/52/33/1134515233.db2.gz SBCUAPJACDQAGI-UHFFFAOYSA-N -1 3 275.333 3.592 20 5 CHBDHM C[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1cccs1 ZINC001226337348 1135685828 /nfs/dbraw/zinc/68/58/28/1135685828.db2.gz XVOGRPMYDAGZNW-QMMMGPOBSA-N -1 3 265.290 3.502 20 5 CHBDHM