smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)ccc2n1-c1ccccc1 ZINC000015544783 210159139 /nfs/dbraw/zinc/15/91/39/210159139.db2.gz ANLIUTMMJUSBOM-UHFFFAOYSA-N 0 0 386.411 4.803 50 5 GJBARN COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000013659611 210075040 /nfs/dbraw/zinc/07/50/40/210075040.db2.gz FODXEOIVLZWUAS-UHFFFAOYSA-N 0 0 399.230 4.708 50 5 GJBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC1CCCCCCC1 ZINC000013135419 210053026 /nfs/dbraw/zinc/05/30/26/210053026.db2.gz HUOUMYDTQBETGR-LBPRGKRZSA-N 0 0 387.402 4.643 50 5 GJBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCCc2ccccc2)cc1 ZINC000008564213 209784443 /nfs/dbraw/zinc/78/44/43/209784443.db2.gz VGLIAOIJKUNOPZ-UHFFFAOYSA-N 0 0 380.375 4.608 50 5 GJBARN COc1ccc(CSCC(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000004834051 209531493 /nfs/dbraw/zinc/53/14/93/209531493.db2.gz XYMVCYSDKIGIEB-UHFFFAOYSA-N 0 0 382.441 4.629 50 5 GJBARN COc1cc2c(cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1)oc1ccccc12 ZINC000004549027 209495152 /nfs/dbraw/zinc/49/51/52/209495152.db2.gz QFXJBFPWTRVNQV-UHFFFAOYSA-N 0 0 376.368 4.684 50 5 GJBARN O=C1OC(c2cccc3ccccc32)=NC1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002946873 209399984 /nfs/dbraw/zinc/39/99/84/209399984.db2.gz SOKZVSMNGOEALU-GZTJUZNOSA-N 0 0 393.786 4.658 50 5 GJBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2cc(C)cc(C)c2)c1=O ZINC000002434148 209364153 /nfs/dbraw/zinc/36/41/53/209364153.db2.gz USWYDYFEVUSZPD-MRXNPFEDSA-N 0 0 397.482 4.871 50 5 GJBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccccc3)nc21 ZINC000002356902 209359187 /nfs/dbraw/zinc/35/91/87/209359187.db2.gz GGPNYHFZZCRKAO-UHFFFAOYSA-N 0 0 399.494 4.811 50 5 GJBARN Cc1ccc(-c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)c2)cc1 ZINC000001838538 209341540 /nfs/dbraw/zinc/34/15/40/209341540.db2.gz AYGYBDJWUCNSGG-UHFFFAOYSA-N 0 0 383.425 4.646 50 5 GJBARN O=C(CCCOc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001777517 209338814 /nfs/dbraw/zinc/33/88/14/209338814.db2.gz DSHAXHYFTLGJEC-UHFFFAOYSA-N 0 0 391.836 4.656 50 5 GJBARN O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000001220013 209316505 /nfs/dbraw/zinc/31/65/05/209316505.db2.gz XALZTPPSODKXFJ-GOSISDBHSA-N 0 0 377.425 4.648 50 5 GJBARN O=C(Nc1ccccc1C(=O)Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001187207 209311494 /nfs/dbraw/zinc/31/14/94/209311494.db2.gz RMJNYXWIWXIGHP-UHFFFAOYSA-N 0 0 396.786 4.720 50 5 GJBARN O=[N+]([O-])c1cc2onc(C3OCCO3)c2c(Sc2ccc(Cl)cc2)c1 ZINC000001097259 209300257 /nfs/dbraw/zinc/30/02/57/209300257.db2.gz SOWZFFWDDFMNRD-UHFFFAOYSA-N 0 0 378.793 4.586 50 5 GJBARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000000855672 209273331 /nfs/dbraw/zinc/27/33/31/209273331.db2.gz MDEUHEHZLQMQGD-APPDUMDISA-N 0 0 385.489 4.661 50 5 GJBARN NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000000651834 209254986 /nfs/dbraw/zinc/25/49/86/209254986.db2.gz MVJSJDKPITZKCN-QOMWVZHYSA-N 0 0 382.341 4.936 50 5 GJBARN O=[N+]([O-])c1ccc(COc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)cc1 ZINC000018163900 209234352 /nfs/dbraw/zinc/23/43/52/209234352.db2.gz UOXITPNOGQRKSD-UHFFFAOYSA-N 0 0 387.395 4.937 50 5 GJBARN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000001183530 203893758 /nfs/dbraw/zinc/89/37/58/203893758.db2.gz LEWZKKYPFNKQRH-UHFFFAOYSA-N 0 0 395.415 4.528 50 5 GJBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000001149865 203889706 /nfs/dbraw/zinc/88/97/06/203889706.db2.gz MMSLEIWCCRZNHY-UHFFFAOYSA-N 0 0 375.595 4.573 50 5 GJBARN O=[N+]([O-])c1cccc(Cl)c1CSc1nnnn1-c1cccc2ccccc21 ZINC000001156841 203891890 /nfs/dbraw/zinc/89/18/90/203891890.db2.gz JKMZHOHQEPNDBU-UHFFFAOYSA-N 0 0 397.847 4.669 50 5 GJBARN COc1ccccc1Oc1cc([N+](=O)[O-])cc2c1C(=O)Nc1ccccc1O2 ZINC000001446238 203911105 /nfs/dbraw/zinc/91/11/05/203911105.db2.gz WKTONCUESLKLBS-UHFFFAOYSA-N 0 0 378.340 4.754 50 5 biogenic GJBARN COc1cccc(/C=C(/C(=O)OCc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000003398315 204004479 /nfs/dbraw/zinc/00/44/79/204004479.db2.gz KVTMMXXIESVSEI-PXLXIMEGSA-N 0 0 389.407 4.887 50 5 GJBARN CSc1ccc(C(=O)N[C@@H](C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000003417948 204005800 /nfs/dbraw/zinc/00/58/00/204005800.db2.gz FUBMQMOTYYDLHI-JTQLQIEISA-N 0 0 395.278 4.570 50 5 GJBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1 ZINC000003615321 204015973 /nfs/dbraw/zinc/01/59/73/204015973.db2.gz JCCDXQUPMAXSGB-UHFFFAOYSA-N 0 0 378.453 4.593 50 5 GJBARN Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000004790856 204075811 /nfs/dbraw/zinc/07/58/11/204075811.db2.gz RTSHLZZHAUTIDJ-UHFFFAOYSA-N 0 0 378.413 4.532 50 5 GJBARN O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000004811187 204076586 /nfs/dbraw/zinc/07/65/86/204076586.db2.gz JSKPOXYJSKGQRZ-UHFFFAOYSA-N 0 0 379.460 4.568 50 5 GJBARN Cc1cccc2oc3cc(N4CCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 ZINC000004817322 204077905 /nfs/dbraw/zinc/07/79/05/204077905.db2.gz GTMPTLBELXLFBK-UHFFFAOYSA-N 0 0 396.446 4.850 50 5 GJBARN CC(=O)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000004536141 204050789 /nfs/dbraw/zinc/05/07/89/204050789.db2.gz SQADXFSQJSCOMD-UHFFFAOYSA-N 0 0 384.775 4.963 50 5 GJBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000005091089 204110065 /nfs/dbraw/zinc/11/00/65/204110065.db2.gz VBRLVOHIGOAWAO-UNMCSNQZSA-N 0 0 389.386 4.976 50 5 GJBARN CCCCc1nc2c(c3nc4ccccc4n31)c(=O)c(C)nn2-c1ccc(C)cc1 ZINC000005206967 204119112 /nfs/dbraw/zinc/11/91/12/204119112.db2.gz WZOLCQYDJFCYOX-UHFFFAOYSA-N 0 0 397.482 4.541 50 5 GJBARN O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000006011978 204161776 /nfs/dbraw/zinc/16/17/76/204161776.db2.gz WXDAHPRYZWNCCV-UHFFFAOYSA-N 0 0 392.795 4.868 50 5 GJBARN Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000006081111 204164697 /nfs/dbraw/zinc/16/46/97/204164697.db2.gz ZWWQXZDQJUPUFL-HNNXBMFYSA-N 0 0 396.472 4.517 50 5 GJBARN Cc1oc(-c2ccccc2)cc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000005536706 204138622 /nfs/dbraw/zinc/13/86/22/204138622.db2.gz HJLUBJXGBWWWQE-UHFFFAOYSA-N 0 0 399.834 4.659 50 5 GJBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Cl)cc1Cl ZINC000005595943 204141629 /nfs/dbraw/zinc/14/16/29/204141629.db2.gz CVVRGGBLJUIAHZ-UHFFFAOYSA-N 0 0 397.243 4.509 50 5 GJBARN O=[N+]([O-])c1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)cc1 ZINC000006399557 204177386 /nfs/dbraw/zinc/17/73/86/204177386.db2.gz ZNCMYLLCKCNXAL-UHFFFAOYSA-N 0 0 390.424 4.943 50 5 GJBARN Cc1c(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000008562747 204279777 /nfs/dbraw/zinc/27/97/77/204279777.db2.gz OKMKSQNWLAVYHO-MRXNPFEDSA-N 0 0 376.412 4.976 50 5 GJBARN O=[N+]([O-])c1ccc2nc(SCc3cc4c(cc3Cl)OCO4)sc2c1 ZINC000044867298 205088356 /nfs/dbraw/zinc/08/83/56/205088356.db2.gz HSQWBRREUSUZGY-UHFFFAOYSA-N 0 0 380.834 4.879 50 5 GJBARN COc1ccc(-c2nc(NC(=O)c3cccc(C)c3[N+](=O)[O-])sc2C)cc1 ZINC000006217308 211574840 /nfs/dbraw/zinc/57/48/40/211574840.db2.gz HZMPPTDOGCCOOP-UHFFFAOYSA-N 0 0 383.429 4.596 50 5 GJBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCC[C@H]1c1ccccn1 ZINC000055517700 210890784 /nfs/dbraw/zinc/89/07/84/210890784.db2.gz ZHDUFQJCNZYMID-KRWDZBQOSA-N 0 0 397.818 4.881 50 5 GJBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027662306 210516508 /nfs/dbraw/zinc/51/65/08/210516508.db2.gz PHPDAICOSVKTRC-UHFFFAOYSA-N 0 0 383.407 4.990 50 5 GJBARN C[C@@H](c1cccs1)N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000024538460 210464937 /nfs/dbraw/zinc/46/49/37/210464937.db2.gz WIIDXBCSSUKCJO-CABCVRRESA-N 0 0 387.505 4.726 50 5 GJBARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000012556391 221207304 /nfs/dbraw/zinc/20/73/04/221207304.db2.gz FIKFHSQZRCXROC-LLVKDONJSA-N 0 0 393.365 4.541 50 5 GJBARN C/C=C1\CC(C)(C)C[C@@H]2C[C@@]2(C)[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071786230 570272017 /nfs/dbraw/zinc/27/20/17/570272017.db2.gz XXFAOJHAKYKGCP-MLUIYUMNSA-N 0 0 388.420 4.821 50 5 GJBARN COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c(C)c4oc32)cc1OC ZINC000218168303 570326860 /nfs/dbraw/zinc/32/68/60/570326860.db2.gz RXVHGEMMWJLZJT-UHFFFAOYSA-N 0 0 375.384 4.556 50 5 GJBARN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000026466828 570328042 /nfs/dbraw/zinc/32/80/42/570328042.db2.gz YPVZYNYFQTZLSA-UHFFFAOYSA-N 0 0 398.371 4.961 50 5 GJBARN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4ccccc4s3)cc2[N+](=O)[O-])C1 ZINC000006248316 570348220 /nfs/dbraw/zinc/34/82/20/570348220.db2.gz XZCDERNOPHWZTO-CYBMUJFWSA-N 0 0 396.472 4.693 50 5 GJBARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006282292 570360873 /nfs/dbraw/zinc/36/08/73/570360873.db2.gz SEVFOPXZZCJOBG-SFHVURJKSA-N 0 0 396.424 4.502 50 5 GJBARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000000830419 570383782 /nfs/dbraw/zinc/38/37/82/570383782.db2.gz QHMORIDZRJHGLG-UHFFFAOYSA-N 0 0 383.747 4.902 50 5 GJBARN COP(=O)(OC)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC000005060023 570406916 /nfs/dbraw/zinc/40/69/16/570406916.db2.gz VSNXSESASMGADA-KRWDZBQOSA-N 0 0 375.321 4.673 50 5 GJBARN Cc1csc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)cn12 ZINC000005083656 570413659 /nfs/dbraw/zinc/41/36/59/570413659.db2.gz DVGWYDYVOARLGR-UHFFFAOYSA-N 0 0 392.440 4.840 50 5 GJBARN CCCCn1c2nc3ccccc3nc2c2c1ncn([C@@H](C)c1ccccc1)c2=O ZINC000004866963 570413862 /nfs/dbraw/zinc/41/38/62/570413862.db2.gz PQSGSNWOKHDZSY-INIZCTEOSA-N 0 0 397.482 4.704 50 5 GJBARN CCOc1ccccc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000001791470 570425104 /nfs/dbraw/zinc/42/51/04/570425104.db2.gz NUGCGDKZUGVDOV-UHFFFAOYSA-N 0 0 383.429 4.678 50 5 GJBARN CCCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccc(Cl)cc1 ZINC000002351403 570475164 /nfs/dbraw/zinc/47/51/64/570475164.db2.gz IALFMVOVLBTXNV-UHFFFAOYSA-N 0 0 380.831 4.623 50 5 GJBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000006554241 570475716 /nfs/dbraw/zinc/47/57/16/570475716.db2.gz WXJSJLBMOACSDW-PKNBQFBNSA-N 0 0 390.424 4.852 50 5 GJBARN CSc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 ZINC000005299161 570551689 /nfs/dbraw/zinc/55/16/89/570551689.db2.gz QWONPJBPNSFBNM-UHFFFAOYSA-N 0 0 379.850 4.832 50 5 GJBARN CCOc1ccc(OCC)c(NC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000062582069 570671362 /nfs/dbraw/zinc/67/13/62/570671362.db2.gz JSIRJNNYXKATKH-CQSZACIVSA-N 0 0 387.436 4.617 50 5 GJBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000001021186 570747162 /nfs/dbraw/zinc/74/71/62/570747162.db2.gz XMFZDCARMVTANF-UHFFFAOYSA-N 0 0 394.770 4.841 50 5 GJBARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001114541 570753933 /nfs/dbraw/zinc/75/39/33/570753933.db2.gz JTUCSLHLSJDJSQ-UHFFFAOYSA-N 0 0 377.784 4.763 50 5 GJBARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001134714 570756253 /nfs/dbraw/zinc/75/62/53/570756253.db2.gz BSZMYWCAYLDCFM-UHFFFAOYSA-N 0 0 389.127 4.628 50 5 GJBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2c(Br)cccc12 ZINC000001178967 570789084 /nfs/dbraw/zinc/78/90/84/570789084.db2.gz BJAMVQWRHJHWLH-UHFFFAOYSA-N 0 0 389.180 4.902 50 5 GJBARN CC(=O)c1cccc(NC(=O)[C@@H](Oc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000005869432 570799403 /nfs/dbraw/zinc/79/94/03/570799403.db2.gz JHPSAFMXESONAM-NRFANRHFSA-N 0 0 390.395 4.556 50 5 GJBARN O=C(Nc1ccc(Cl)cc1F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000007239072 570819937 /nfs/dbraw/zinc/81/99/37/570819937.db2.gz GIMOCUKGEHWVCH-UHFFFAOYSA-N 0 0 377.803 4.630 50 5 GJBARN CCCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000012523000 570829610 /nfs/dbraw/zinc/82/96/10/570829610.db2.gz KRRIBJTWNVAPIN-UHFFFAOYSA-N 0 0 384.479 4.988 50 5 GJBARN O=[N+]([O-])c1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 ZINC000004706862 570842804 /nfs/dbraw/zinc/84/28/04/570842804.db2.gz WARPTVPTMKHUIR-UHFFFAOYSA-N 0 0 385.217 4.867 50 5 GJBARN COc1ccc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000170639384 570942033 /nfs/dbraw/zinc/94/20/33/570942033.db2.gz YUSOPWUDVIMTPS-UHFFFAOYSA-N 0 0 383.351 4.791 50 5 GJBARN Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000013002002 210046275 /nfs/dbraw/zinc/04/62/75/210046275.db2.gz ZILWKDOLDSXQCS-ZDUSSCGKSA-N 0 0 375.808 4.602 50 5 GJBARN Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)ccc1[N+](=O)[O-] ZINC000007684916 209740381 /nfs/dbraw/zinc/74/03/81/209740381.db2.gz XOYRBFQFCYIOAX-HNNXBMFYSA-N 0 0 381.457 4.533 50 5 GJBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOCc1ccccc1 ZINC000005350110 209588650 /nfs/dbraw/zinc/58/86/50/209588650.db2.gz BQBFWDOYPWIVKP-UHFFFAOYSA-N 0 0 383.451 4.963 50 5 GJBARN CCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000004668663 209507283 /nfs/dbraw/zinc/50/72/83/209507283.db2.gz IKFMJUARIZGWDO-IYBDPMFKSA-N 0 0 381.476 4.892 50 5 GJBARN COc1ccc(Sc2ccc(C(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC000003019593 209406816 /nfs/dbraw/zinc/40/68/16/209406816.db2.gz HHBYSZJTXDKMPZ-AWEZNQCLSA-N 0 0 386.473 4.627 50 5 GJBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cc(C)cc(C)c2)c1=O ZINC000002407793 209363053 /nfs/dbraw/zinc/36/30/53/209363053.db2.gz UXAHPNGUUHISRA-UHFFFAOYSA-N 0 0 397.482 4.619 50 5 GJBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2cc(C)ccc2C)c1=O ZINC000002405673 209361813 /nfs/dbraw/zinc/36/18/13/209361813.db2.gz AYBWXTKKVNWWIB-INIZCTEOSA-N 0 0 397.482 4.871 50 5 GJBARN CCOP(=O)(OCC)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000002270663 209354002 /nfs/dbraw/zinc/35/40/02/209354002.db2.gz MVAYPTGJTOPCSH-GOSISDBHSA-N 0 0 394.364 4.980 50 5 GJBARN CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O[C@]312 ZINC000002271193 209353654 /nfs/dbraw/zinc/35/36/54/209353654.db2.gz WZPULXTWYBZUOB-RTWAWAEBSA-N 0 0 393.399 4.567 50 5 aggregator GJBARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000001505830 209330886 /nfs/dbraw/zinc/33/08/86/209330886.db2.gz ZWPGRQUNNWHSTG-UHFFFAOYSA-N 0 0 377.331 4.794 50 5 GJBARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 ZINC000001229003 209316318 /nfs/dbraw/zinc/31/63/18/209316318.db2.gz JJXFFKOHLJCBFF-UHFFFAOYSA-N 0 0 389.411 4.716 50 5 GJBARN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000001177782 209311079 /nfs/dbraw/zinc/31/10/79/209311079.db2.gz MHSHNBJQDWBENV-UHFFFAOYSA-N 0 0 385.832 4.528 50 5 GJBARN FC(F)(F)c1cc(-c2cccs2)nc2sc3c4ncnn4cnc3c21 ZINC000001022032 209288598 /nfs/dbraw/zinc/28/85/98/209288598.db2.gz OGYOLESDBZEJPL-UHFFFAOYSA-N 0 0 377.376 4.635 50 5 GJBARN Cc1cc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)ccc1[N+](=O)[O-] ZINC000000991334 209286652 /nfs/dbraw/zinc/28/66/52/209286652.db2.gz QMVHKPVFGVIRIQ-UHFFFAOYSA-N 0 0 385.379 4.733 50 5 GJBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCS[C@H]1c1ccccc1C(F)(F)F ZINC000000691002 209260912 /nfs/dbraw/zinc/26/09/12/209260912.db2.gz UXJFSXIDGUKMLX-INIZCTEOSA-N 0 0 382.363 4.501 50 5 GJBARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000676321 209257646 /nfs/dbraw/zinc/25/76/46/209257646.db2.gz PWHNDXRFGFUMPM-UHFFFAOYSA-N 0 0 396.424 4.752 50 5 GJBARN Cc1ccc(NC(=O)Oc2cc(C)c(Br)cc2C)cc1[N+](=O)[O-] ZINC000002156143 203778890 /nfs/dbraw/zinc/77/88/90/203778890.db2.gz VRGMIXLLTPVVPU-UHFFFAOYSA-N 0 0 379.210 4.893 50 5 GJBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000000843651 203858606 /nfs/dbraw/zinc/85/86/06/203858606.db2.gz HJLKVPMAXDNQPE-XLIONFOSSA-N 0 0 377.425 4.899 50 5 GJBARN COc1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1OC ZINC000001053633 203877309 /nfs/dbraw/zinc/87/73/09/203877309.db2.gz JVPMDIHEJUYVOC-UHFFFAOYSA-N 0 0 392.820 4.732 50 5 GJBARN O=c1oc2cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2c2ccccc12 ZINC000001781311 203920449 /nfs/dbraw/zinc/92/04/49/203920449.db2.gz TXRUCGKCZWPWCX-UHFFFAOYSA-N 0 0 378.296 4.555 50 5 GJBARN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)NC2CCCCCC2)n1 ZINC000003428179 204006546 /nfs/dbraw/zinc/00/65/46/204006546.db2.gz BSYFHPAJCXNVAV-UHFFFAOYSA-N 0 0 391.518 4.964 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000003430784 204007034 /nfs/dbraw/zinc/00/70/34/204007034.db2.gz DPEYORZXIOHEID-UHFFFAOYSA-N 0 0 382.416 4.963 50 5 GJBARN CCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000004668668 204062048 /nfs/dbraw/zinc/06/20/48/204062048.db2.gz IKFMJUARIZGWDO-HZPDHXFCSA-N 0 0 381.476 4.892 50 5 GJBARN CCc1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000004668197 204062105 /nfs/dbraw/zinc/06/21/05/204062105.db2.gz QAEYBXLSNUZUNV-IYBDPMFKSA-N 0 0 381.476 4.892 50 5 GJBARN COc1ccc2c(C)cc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc2c1 ZINC000005688638 204145503 /nfs/dbraw/zinc/14/55/03/204145503.db2.gz NXOCBDDWDFBOSZ-UHFFFAOYSA-N 0 0 398.440 4.619 50 5 GJBARN O=C(COc1ccccc1F)Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1 ZINC000006661103 204190942 /nfs/dbraw/zinc/19/09/42/204190942.db2.gz LLBHVPKEKZKFAJ-UHFFFAOYSA-N 0 0 397.789 4.756 50 5 GJBARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000008562761 204279538 /nfs/dbraw/zinc/27/95/38/204279538.db2.gz XRGQAOGYUQIBKZ-CQSZACIVSA-N 0 0 380.375 4.807 50 5 GJBARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1[N+](=O)[O-] ZINC000009190323 204302245 /nfs/dbraw/zinc/30/22/45/204302245.db2.gz SAWZGOGHRIJBKX-UHFFFAOYSA-N 0 0 388.383 4.667 50 5 GJBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012982739 204472768 /nfs/dbraw/zinc/47/27/68/204472768.db2.gz CPAPTDIZFXCPRD-FMQWLBJXSA-N 0 0 379.441 4.581 50 5 GJBARN O=C(Nc1cc(Nc2ccc([N+](=O)[O-])cc2F)ccc1F)c1ccsc1 ZINC000052306282 205133505 /nfs/dbraw/zinc/13/35/05/205133505.db2.gz CXIZMPSPJKEPAV-UHFFFAOYSA-N 0 0 375.356 4.930 50 5 GJBARN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000084493583 205394105 /nfs/dbraw/zinc/39/41/05/205394105.db2.gz IUBUJNQFKNIGIF-UHFFFAOYSA-N 0 0 387.798 4.673 50 5 GJBARN C[C@H](Cc1nc2ccccc2s1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000084641004 205397864 /nfs/dbraw/zinc/39/78/64/205397864.db2.gz QPPQUOWNAUEPBD-SNVBAGLBSA-N 0 0 390.852 4.611 50 5 GJBARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000003296205 205816751 /nfs/dbraw/zinc/81/67/51/205816751.db2.gz NWWQOXLDECHCKC-JXMROGBWSA-N 0 0 387.823 4.639 50 5 GJBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(Cc1ccccc1F)CO2 ZINC000061997705 206104720 /nfs/dbraw/zinc/10/47/20/206104720.db2.gz ZFXRPQFHJGUMSF-UHFFFAOYSA-N 0 0 375.399 4.746 50 5 biogenic GJBARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000100675943 211388568 /nfs/dbraw/zinc/38/85/68/211388568.db2.gz BUPIOAQHMBSCAQ-UHFFFAOYSA-N 0 0 386.363 4.621 50 5 GJBARN COc1cc(-c2noc(C3CCCC3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000096280756 211329262 /nfs/dbraw/zinc/32/92/62/211329262.db2.gz UNMSVIZQVROHMC-UHFFFAOYSA-N 0 0 395.415 4.890 50 5 GJBARN CCOc1cc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc(OCC)c1OCC ZINC000085343021 211176198 /nfs/dbraw/zinc/17/61/98/211176198.db2.gz LLTOUWXLIMZSEW-UHFFFAOYSA-N 0 0 386.404 4.908 50 5 GJBARN CCc1cc(OC(=O)c2ccc3ccccc3c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000035689883 210695981 /nfs/dbraw/zinc/69/59/81/210695981.db2.gz YPLOWAUCFUQCJM-UHFFFAOYSA-N 0 0 387.395 4.715 50 5 GJBARN COc1ccc(-c2csc(SCC(=O)c3cc([N+](=O)[O-])cs3)n2)cc1 ZINC000012173019 221161867 /nfs/dbraw/zinc/16/18/67/221161867.db2.gz WWGDRWBJNRQEPA-UHFFFAOYSA-N 0 0 392.483 4.763 50 5 GJBARN CSc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000012586022 136200614 /nfs/dbraw/zinc/20/06/14/136200614.db2.gz XSKAAMOBXCUNJF-UHFFFAOYSA-N 0 0 385.489 4.805 50 5 GJBARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000006590864 570278248 /nfs/dbraw/zinc/27/82/48/570278248.db2.gz JOTBMGIKXKMLQF-HAHDFKILSA-N 0 0 396.446 4.608 50 5 GJBARN COc1ccc2c(CCNc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c[nH]c2c1 ZINC000000667840 570287613 /nfs/dbraw/zinc/28/76/13/570287613.db2.gz KHNMOGKZXHLZAQ-UHFFFAOYSA-N 0 0 394.456 4.863 50 5 GJBARN CC(=O)Nc1ccc(Oc2cc(NC(=O)c3ccccc3)cc([N+](=O)[O-])c2)cc1 ZINC000000728364 570304045 /nfs/dbraw/zinc/30/40/45/570304045.db2.gz XZDXSXGCKKPCKX-UHFFFAOYSA-N 0 0 391.383 4.598 50 5 GJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000022611490 570323474 /nfs/dbraw/zinc/32/34/74/570323474.db2.gz GKJLIMYRMDMPTH-HXUWFJFHSA-N 0 0 388.492 4.580 50 5 GJBARN O=[N+]([O-])c1ccc2cnn(CN3CCCC[C@H]3c3nc4ccccc4s3)c2c1 ZINC000023856146 570333633 /nfs/dbraw/zinc/33/36/33/570333633.db2.gz CONXJHXMBZNJHG-KRWDZBQOSA-N 0 0 393.472 4.739 50 5 GJBARN CC(C)c1ccc([C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C(C)C)cc1 ZINC000024059355 570344444 /nfs/dbraw/zinc/34/44/44/570344444.db2.gz SDNAECQTCKKATD-GOSISDBHSA-N 0 0 380.448 4.535 50 5 GJBARN C[C@H]1CCCN(c2ccc(C(=O)Nc3nc4ccccc4s3)cc2[N+](=O)[O-])C1 ZINC000006248319 570348167 /nfs/dbraw/zinc/34/81/67/570348167.db2.gz XZCDERNOPHWZTO-ZDUSSCGKSA-N 0 0 396.472 4.693 50 5 GJBARN Cc1cc(C)c(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1C ZINC000006260852 570352971 /nfs/dbraw/zinc/35/29/71/570352971.db2.gz OLIWIMKRBWGKAC-UHFFFAOYSA-N 0 0 397.456 4.661 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1Cc1ccccc1 ZINC000005041537 570404403 /nfs/dbraw/zinc/40/44/03/570404403.db2.gz RYAIHGKKLKHBOD-UHFFFAOYSA-N 0 0 377.400 4.838 50 5 GJBARN O=[N+]([O-])c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1Cl ZINC000025576440 570427222 /nfs/dbraw/zinc/42/72/22/570427222.db2.gz AHYBWBYWJSVTQT-UHFFFAOYSA-N 0 0 375.775 4.888 50 5 GJBARN CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000026856801 570441328 /nfs/dbraw/zinc/44/13/28/570441328.db2.gz TXSMQLNIQQFCBJ-NSHDSACASA-N 0 0 384.910 4.839 50 5 GJBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000016695791 570494705 /nfs/dbraw/zinc/49/47/05/570494705.db2.gz HXQSQVDHMJVGOF-QGZVFWFLSA-N 0 0 397.475 4.667 50 5 GJBARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1[N+](=O)[O-] ZINC000005195976 570499998 /nfs/dbraw/zinc/49/99/98/570499998.db2.gz GQBDWKBQWPACSU-UHFFFAOYSA-N 0 0 391.408 4.829 50 5 GJBARN CC(C)(C)c1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000002054887 570501201 /nfs/dbraw/zinc/50/12/01/570501201.db2.gz QWAIZKZIMIIKPK-MHWRWJLKSA-N 0 0 384.819 4.890 50 5 GJBARN Cc1cc2oc(NCc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c2c(=O)o1 ZINC000006668878 570527213 /nfs/dbraw/zinc/52/72/13/570527213.db2.gz QFQPTTFAQQUJPZ-UHFFFAOYSA-N 0 0 376.368 4.882 50 5 GJBARN O=C(c1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000993837 570546327 /nfs/dbraw/zinc/54/63/27/570546327.db2.gz ILZHGEFHFLASCQ-HSZRJFAPSA-N 0 0 397.434 4.864 50 5 GJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)cc1Cl ZINC000006720200 570548427 /nfs/dbraw/zinc/54/84/27/570548427.db2.gz LAUCBUPSDPVXAK-UHFFFAOYSA-N 0 0 380.806 4.586 50 5 GJBARN Cc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247357 570581623 /nfs/dbraw/zinc/58/16/23/570581623.db2.gz LSHULEHYQLSANL-UHFFFAOYSA-N 0 0 396.468 4.607 50 5 GJBARN Cc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1[N+](=O)[O-] ZINC000005618314 570669405 /nfs/dbraw/zinc/66/94/05/570669405.db2.gz OJKZSBKHAFEXET-UHFFFAOYSA-N 0 0 392.234 4.528 50 5 GJBARN Cc1nccn1Cc1cccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000036393973 570678795 /nfs/dbraw/zinc/67/87/95/570678795.db2.gz ZVSZYDQHQDLATH-UHFFFAOYSA-N 0 0 390.365 4.779 50 5 GJBARN COc1ccc([C@H](C[N+](=O)[O-])c2c3ccccc3n(O)c2-c2ccccc2)cc1 ZINC000000955778 570737969 /nfs/dbraw/zinc/73/79/69/570737969.db2.gz AXGWDCONMXHSTN-FQEVSTJZSA-N 0 0 388.423 4.963 50 5 GJBARN Cc1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)OC(C)C)c1C ZINC000001115279 570753760 /nfs/dbraw/zinc/75/37/60/570753760.db2.gz XGMWNBWHHCEOEQ-UHFFFAOYSA-N 0 0 396.852 4.744 50 5 GJBARN CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)sc2c1 ZINC000001116451 570753996 /nfs/dbraw/zinc/75/39/96/570753996.db2.gz ZJAJFTUSNASYPK-UHFFFAOYSA-N 0 0 377.809 4.509 50 5 GJBARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 ZINC000007042351 570759825 /nfs/dbraw/zinc/75/98/25/570759825.db2.gz YNBFKFVHRNDFBG-LBPRGKRZSA-N 0 0 381.354 4.670 50 5 GJBARN CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(OC)cc1 ZINC000001185831 570791284 /nfs/dbraw/zinc/79/12/84/570791284.db2.gz IQTXSAAFHZPRQZ-UHFFFAOYSA-N 0 0 397.456 4.932 50 5 GJBARN C[C@@H](Sc1ncnc2sccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007112862 570792260 /nfs/dbraw/zinc/79/22/60/570792260.db2.gz GSLRKOKVJRARHY-SECBINFHSA-N 0 0 385.430 4.503 50 5 GJBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000001209157 570794059 /nfs/dbraw/zinc/79/40/59/570794059.db2.gz PQQZSNLPFPOLHY-UHFFFAOYSA-N 0 0 392.234 4.700 50 5 GJBARN Cc1ccc(N[C@@H](CCOC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1 ZINC000005687558 570809370 /nfs/dbraw/zinc/80/93/70/570809370.db2.gz JIDSTNVLAUGPMF-SFHVURJKSA-N 0 0 380.400 4.897 50 5 GJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C ZINC000032796873 570819063 /nfs/dbraw/zinc/81/90/63/570819063.db2.gz XNBNANLBEPPNOX-UHFFFAOYSA-N 0 0 382.395 4.604 50 5 GJBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000004695550 570836736 /nfs/dbraw/zinc/83/67/36/570836736.db2.gz CLMYXGUOLUCRPZ-UHFFFAOYSA-N 0 0 376.840 4.872 50 5 GJBARN Cc1c(NC(=O)CSc2nc3cc(Cl)ccc3s2)cccc1[N+](=O)[O-] ZINC000003220941 570839005 /nfs/dbraw/zinc/83/90/05/570839005.db2.gz SDYSMEDXFTZAQB-UHFFFAOYSA-N 0 0 393.877 4.897 50 5 GJBARN CC1(C)COP(=O)([C@H](Nc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)OC1 ZINC000004047869 570924936 /nfs/dbraw/zinc/92/49/36/570924936.db2.gz COWABWMXTPAXOA-KRWDZBQOSA-N 0 0 392.348 4.677 50 5 GJBARN O=C(Nc1ccccc1Sc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000001324151 570957837 /nfs/dbraw/zinc/95/78/37/570957837.db2.gz QDERIAPFIDFPJW-UHFFFAOYSA-N 0 0 383.351 4.508 50 5 GJBARN COc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2-c2ccc(OC)cc2)cc1 ZINC000007597601 570963572 /nfs/dbraw/zinc/96/35/72/570963572.db2.gz JLMXKYYMOYDXTK-UHFFFAOYSA-N 0 0 393.395 4.541 50 5 GJBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2ccccc2F)cc1 ZINC000007597541 570963642 /nfs/dbraw/zinc/96/36/42/570963642.db2.gz HKERGSRAXNJILY-UHFFFAOYSA-N 0 0 381.359 4.671 50 5 GJBARN CCCCOc1ccc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000002148753 570967825 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O=c1cc(OCc2ccc([N+](=O)[O-])cc2)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000005528248 204137166 /nfs/dbraw/zinc/13/71/66/204137166.db2.gz PJJHJONDNLLQMU-UHFFFAOYSA-N 0 0 389.363 4.653 50 5 GJBARN Cc1ccc(Sc2cc([N+](=O)[O-])cc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000006923576 204224755 /nfs/dbraw/zinc/22/47/55/204224755.db2.gz NTAAEVIRLIUQAX-KDURUIRLSA-N 0 0 396.468 4.734 50 5 GJBARN O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1)Nc1ccccc1 ZINC000007978581 204256354 /nfs/dbraw/zinc/25/63/54/204256354.db2.gz ZKLWCKBCDKCFCA-UHFFFAOYSA-N 0 0 380.379 4.528 50 5 GJBARN CCc1ccc([C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000008062265 204260097 /nfs/dbraw/zinc/26/00/97/204260097.db2.gz IITSWSKDPJSRHV-OAQYLSRUSA-N 0 0 396.468 4.503 50 5 GJBARN O=[N+]([O-])c1ccc2c(cnn2CN2CCCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000023855999 204812970 /nfs/dbraw/zinc/81/29/70/204812970.db2.gz IHNFJPLIFLPTOL-GOSISDBHSA-N 0 0 393.472 4.739 50 5 GJBARN CC(C)(C)n1ncc2c1NC(=O)CS[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000049544494 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389.517 4.933 50 5 GJBARN CC(C)c1noc(CCCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000058133145 210907191 /nfs/dbraw/zinc/90/71/91/210907191.db2.gz IGRXJIAZMMKIAX-UHFFFAOYSA-N 0 0 392.765 4.818 50 5 GJBARN Cn1ccnc1COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 ZINC000040139686 210778283 /nfs/dbraw/zinc/77/82/83/210778283.db2.gz TYAKTONVFUWTLL-WEVVVXLNSA-N 0 0 386.411 4.626 50 5 GJBARN COc1ccc(-c2csc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)n2)cc1 ZINC000000726803 570305566 /nfs/dbraw/zinc/30/55/66/570305566.db2.gz OPHKRCRRUANTHW-UHFFFAOYSA-N 0 0 380.381 4.500 50 5 GJBARN O=C(COc1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000004833871 570306341 /nfs/dbraw/zinc/30/63/41/570306341.db2.gz ICKCRRDOQVJAJZ-UHFFFAOYSA-N 0 0 390.606 4.677 50 5 GJBARN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C2CC2)cc1 ZINC000024831076 570310660 /nfs/dbraw/zinc/31/06/60/570310660.db2.gz SIKUUXYEBWYBKG-ZDUSSCGKSA-N 0 0 388.851 4.698 50 5 GJBARN O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)ccc1Cl ZINC000001720533 570341951 /nfs/dbraw/zinc/34/19/51/570341951.db2.gz XDJOUQBOFCTFFW-UHFFFAOYSA-N 0 0 381.131 4.527 50 5 GJBARN O=c1c([N+](=O)[O-])c(Oc2ccc(-c3ccccc3)cc2Cl)nc2ccccn12 ZINC000024058344 570344275 /nfs/dbraw/zinc/34/42/75/570344275.db2.gz FKCPHTJYRUIKED-UHFFFAOYSA-N 0 0 393.786 4.715 50 5 GJBARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000033508322 570360757 /nfs/dbraw/zinc/36/07/57/570360757.db2.gz NWWQOXLDECHCKC-YFHOEESVSA-N 0 0 387.823 4.639 50 5 GJBARN CCc1cc(Br)ccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000004999241 570390435 /nfs/dbraw/zinc/39/04/35/570390435.db2.gz WAEXCMSZDUQJKP-UHFFFAOYSA-N 0 0 380.267 4.729 50 5 GJBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012982740 570407040 /nfs/dbraw/zinc/40/70/40/570407040.db2.gz CPAPTDIZFXCPRD-FLVLSHQESA-N 0 0 379.441 4.581 50 5 GJBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000005065169 570409074 /nfs/dbraw/zinc/40/90/74/570409074.db2.gz HDYPUNICOUMWSY-UHFFFAOYSA-N 0 0 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O=C(c1ccccc1)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000018194496 570808402 /nfs/dbraw/zinc/80/84/02/570808402.db2.gz LEFBRUHOYCUHCH-UHFFFAOYSA-N 0 0 377.425 4.635 50 5 GJBARN O=C(CSc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004496555 570812460 /nfs/dbraw/zinc/81/24/60/570812460.db2.gz BLGNPUPBQWYYTG-UHFFFAOYSA-N 0 0 379.850 4.589 50 5 GJBARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000239433514 570830450 /nfs/dbraw/zinc/83/04/50/570830450.db2.gz XUZGJAQOUPUIFJ-GMAHTHKFSA-N 0 0 385.423 5.146 50 5 GJBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NCCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000102782508 570863211 /nfs/dbraw/zinc/86/32/11/570863211.db2.gz ONPGTRUAILAPKM-QZTJIDSGSA-N 0 0 397.475 4.577 50 5 GJBARN COc1ccc([C@H]2CCCCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000170607378 570864293 /nfs/dbraw/zinc/86/42/93/570864293.db2.gz BHKQGAZCPBLEKB-OAQYLSRUSA-N 0 0 393.443 4.842 50 5 GJBARN COc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000024463792 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GJBARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000001506354 209331152 /nfs/dbraw/zinc/33/11/52/209331152.db2.gz PAULIIIGQUULAD-QFIPXVFZSA-N 0 0 385.423 4.895 50 5 GJBARN CCc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000001078754 209298361 /nfs/dbraw/zinc/29/83/61/209298361.db2.gz GSQXKDSLMZYEHV-UHFFFAOYSA-N 0 0 395.440 4.544 50 5 GJBARN COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000001073244 209297222 /nfs/dbraw/zinc/29/72/22/209297222.db2.gz WXCVDRRPMUXUKB-BQYQJAHWSA-N 0 0 378.222 4.593 50 5 GJBARN Cc1ccc(C(=O)Nc2cnn(Cc3cccc4ccccc43)c2)cc1[N+](=O)[O-] ZINC000001053969 209294111 /nfs/dbraw/zinc/29/41/11/209294111.db2.gz MCCZPLBOICWPCD-UHFFFAOYSA-N 0 0 386.411 4.554 50 5 GJBARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000999009 209287745 /nfs/dbraw/zinc/28/77/45/209287745.db2.gz ASHNMZIDKOKQKI-UHFFFAOYSA-N 0 0 398.850 4.671 50 5 GJBARN Cc1cccc(Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1C ZINC000000820913 209269771 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393.365 4.856 50 5 GJBARN Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1F ZINC000005021690 204103817 /nfs/dbraw/zinc/10/38/17/204103817.db2.gz KTRJCCFRLKFRTD-UHFFFAOYSA-N 0 0 399.385 4.991 50 5 GJBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000005931177 204157602 /nfs/dbraw/zinc/15/76/02/204157602.db2.gz MXXRDWVBIHPMFX-UHFFFAOYSA-N 0 0 385.773 4.594 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1cc(C)c2ccccc2n1 ZINC000006788605 204205895 /nfs/dbraw/zinc/20/58/95/204205895.db2.gz FEQGQTGNOZQKBS-CYBMUJFWSA-N 0 0 397.456 4.579 50 5 GJBARN CCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1cccc([N+](=O)[O-])c1 ZINC000006837004 204213582 /nfs/dbraw/zinc/21/35/82/204213582.db2.gz WUIZXBTVAYWTMU-LJQANCHMSA-N 0 0 379.460 4.687 50 5 GJBARN Cc1csc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)n1 ZINC000007968923 204256812 /nfs/dbraw/zinc/25/68/12/204256812.db2.gz VHNXRWTWGCDYMS-UHFFFAOYSA-N 0 0 389.433 4.902 50 5 GJBARN O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000008470697 204277242 /nfs/dbraw/zinc/27/72/42/204277242.db2.gz RMHLTXYKZZDMMA-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN O=C(CSc1ccc([N+](=O)[O-])cn1)N1c2ccccc2Sc2ccccc21 ZINC000009235381 204303536 /nfs/dbraw/zinc/30/35/36/204303536.db2.gz XIKHXIFHJZPGNZ-UHFFFAOYSA-N 0 0 395.465 4.911 50 5 GJBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)cc1C ZINC000009359162 204308795 /nfs/dbraw/zinc/30/87/95/204308795.db2.gz NLDZYYPDCPCYML-UHFFFAOYSA-N 0 0 384.827 4.724 50 5 GJBARN CNc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1[N+](=O)[O-] ZINC000011357134 204345410 /nfs/dbraw/zinc/34/54/10/204345410.db2.gz JTZLANJHTALNKJ-UHFFFAOYSA-N 0 0 382.445 4.629 50 5 GJBARN Cc1ccc(-c2ccc3c(N)c(C(=O)c4ccc([N+](=O)[O-])cc4)sc3n2)cc1 ZINC000012250928 204388025 /nfs/dbraw/zinc/38/80/25/204388025.db2.gz YLFBVUSLZJWSCY-UHFFFAOYSA-N 0 0 389.436 4.993 50 5 GJBARN Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NC3CCCCCC3)c12 ZINC000036618405 205019211 /nfs/dbraw/zinc/01/92/11/205019211.db2.gz SNSMBJXVESNHEJ-UHFFFAOYSA-N 0 0 394.431 4.559 50 5 GJBARN CCOc1ccc(NC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004542655 209138278 /nfs/dbraw/zinc/13/82/78/209138278.db2.gz LBTDUVVLORUOAL-UHFFFAOYSA-N 0 0 380.400 4.825 50 5 GJBARN CC(C)CNC(=O)C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000096276525 205554029 /nfs/dbraw/zinc/55/40/29/205554029.db2.gz JITLKGUXQUCWMF-KRWDZBQOSA-N 0 0 383.423 4.509 50 5 GJBARN O=c1c2c(-c3cccc([N+](=O)[O-])c3)csc2ncn1Cc1ccc(Cl)cc1 ZINC000000951899 205705742 /nfs/dbraw/zinc/70/57/42/205705742.db2.gz IIOOGJYTEYHXOI-UHFFFAOYSA-N 0 0 397.843 4.735 50 5 GJBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2oc3ccccc3c2c1 ZINC000014898658 205898056 /nfs/dbraw/zinc/89/80/56/205898056.db2.gz BKHOEQPEKNNZHF-UHFFFAOYSA-N 0 0 375.384 4.935 50 5 GJBARN O=[N+]([O-])c1c2nonc2c(N2CCCCCC2)cc1Nc1ccc(Cl)cc1 ZINC000027532369 210515156 /nfs/dbraw/zinc/51/51/56/210515156.db2.gz MZDWBTBSNLGNDE-UHFFFAOYSA-N 0 0 387.827 4.908 50 5 GJBARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2s1 ZINC000025425805 210480431 /nfs/dbraw/zinc/48/04/31/210480431.db2.gz QSSQGWIUSYNXHZ-SECBINFHSA-N 0 0 390.852 4.605 50 5 GJBARN Cc1ccccc1-c1noc(-c2ccc(NCc3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000020897635 210366878 /nfs/dbraw/zinc/36/68/78/210366878.db2.gz WKZCASYRPMOKLQ-UHFFFAOYSA-N 0 0 387.399 4.627 50 5 GJBARN O=[N+]([O-])c1ccc2sc(SCc3cc4c(cc3Cl)OCO4)nc2c1 ZINC000020120553 210318218 /nfs/dbraw/zinc/31/82/18/210318218.db2.gz AKSHIJVQKFHUBM-UHFFFAOYSA-N 0 0 380.834 4.879 50 5 GJBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc2ccccc2c1 ZINC000000728493 220455515 /nfs/dbraw/zinc/45/55/15/220455515.db2.gz WNPPPWUEDCCKLD-ZDLGFXPLSA-N 0 0 378.771 4.746 50 5 GJBARN O=[N+]([O-])c1ccccc1N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058956114 136155710 /nfs/dbraw/zinc/15/57/10/136155710.db2.gz PFEUAGRQAFDRLJ-UHFFFAOYSA-N 0 0 384.386 4.647 50 5 GJBARN C[C@H](c1cccs1)N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000105766782 136191457 /nfs/dbraw/zinc/19/14/57/136191457.db2.gz WIIDXBCSSUKCJO-HUUCEWRRSA-N 0 0 387.505 4.726 50 5 GJBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])N1c2ccccc2Sc2ccccc21 ZINC000003572584 136193686 /nfs/dbraw/zinc/19/36/86/136193686.db2.gz FORSVXBOZGERRH-UHFFFAOYSA-N 0 0 396.399 4.942 50 5 GJBARN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C)cc2[N+](=O)[O-])C3=O)cc1 ZINC000004905524 518189520 /nfs/dbraw/zinc/18/95/20/518189520.db2.gz POMZZBLIJKMCGP-UHFFFAOYSA-N 0 0 388.379 4.805 50 5 GJBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(-c2ccccc2)[nH]n1 ZINC000007028262 570308510 /nfs/dbraw/zinc/30/85/10/570308510.db2.gz RBAMCBUQOZPBCE-UHFFFAOYSA-N 0 0 396.402 4.693 50 5 GJBARN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000024833029 570311003 /nfs/dbraw/zinc/31/10/03/570311003.db2.gz AUWICAFXRHRSRQ-UHFFFAOYSA-N 0 0 392.459 4.698 50 5 GJBARN O=C(Nc1ccccc1Br)c1cc2c(ccc3ccccc32)oc1=O ZINC000004589984 570385935 /nfs/dbraw/zinc/38/59/35/570385935.db2.gz SCGMVZWIRXCEQQ-UHFFFAOYSA-N 0 0 394.224 4.961 50 5 GJBARN COc1ccccc1-c1nc2c3sc4nc(C(F)F)cc(C)c4c3ncn2n1 ZINC000033327014 570406779 /nfs/dbraw/zinc/40/67/79/570406779.db2.gz CNLNUXWIQYJJMQ-UHFFFAOYSA-N 0 0 397.410 4.809 50 5 GJBARN CCc1ccc(OCCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000001777519 570422734 /nfs/dbraw/zinc/42/27/34/570422734.db2.gz KDQPXMLJEFSWLS-UHFFFAOYSA-N 0 0 385.445 4.565 50 5 GJBARN Cc1cccc2c(=O)c3c(O)cc(OCC(=O)c4ccc(Cl)cc4)cc3oc12 ZINC000005205398 570507331 /nfs/dbraw/zinc/50/73/31/570507331.db2.gz IEIWZGBOWUOBFE-UHFFFAOYSA-N 0 0 394.810 4.875 50 5 GJBARN CN(C(=O)c1cc2ccccc2c2cccnc12)c1ccc(Br)cn1 ZINC000225512370 570582181 /nfs/dbraw/zinc/58/21/81/570582181.db2.gz YJMNPFBHCKVZLD-UHFFFAOYSA-N 0 0 392.256 4.822 50 5 GJBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1nc2ccccc2s1 ZINC000004167575 570621065 /nfs/dbraw/zinc/62/10/65/570621065.db2.gz UNBGPJWCZSIXKH-UHFFFAOYSA-N 0 0 388.455 4.642 50 5 GJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000005561670 570648475 /nfs/dbraw/zinc/64/84/75/570648475.db2.gz IKIYGAPVSCMQOE-UHFFFAOYSA-N 0 0 386.367 4.564 50 5 GJBARN CCc1cccc2c(C3=CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c[nH]c21 ZINC000036391038 570673774 /nfs/dbraw/zinc/67/37/74/570673774.db2.gz WIOLQZSUYHLMLK-UHFFFAOYSA-N 0 0 375.428 4.568 50 5 GJBARN O=C(OCc1ccc(OCc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001085087 570750691 /nfs/dbraw/zinc/75/06/91/570750691.db2.gz KPGRBOPIKVTMBV-UHFFFAOYSA-N 0 0 381.359 4.670 50 5 GJBARN CCOC(=O)c1sc([N+](=O)[O-])c(-c2ccccc2)c1NC(=O)c1ccccc1 ZINC000096602378 570774783 /nfs/dbraw/zinc/77/47/83/570774783.db2.gz YALQCLPTXBNSNF-UHFFFAOYSA-N 0 0 396.424 4.752 50 5 GJBARN Cc1ccc(-c2cc(=O)oc(-c3ccc(Cl)cc3Cl)n2)cc1[N+](=O)[O-] ZINC000001183420 570791460 /nfs/dbraw/zinc/79/14/60/570791460.db2.gz BTAMOCZLCWHXNU-UHFFFAOYSA-N 0 0 377.183 4.892 50 5 GJBARN C[C@H](Sc1ncnc2sccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007112860 570792300 /nfs/dbraw/zinc/79/23/00/570792300.db2.gz GSLRKOKVJRARHY-VIFPVBQESA-N 0 0 385.430 4.503 50 5 GJBARN Cc1cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)ccc1[N+](=O)[O-] ZINC000001210083 570793966 /nfs/dbraw/zinc/79/39/66/570793966.db2.gz YZLXMECEUPSKFR-UHFFFAOYSA-N 0 0 389.367 4.669 50 5 GJBARN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cs/c2=N\Cc2cccnc2)cc1 ZINC000101137351 570815798 /nfs/dbraw/zinc/81/57/98/570815798.db2.gz CIGCOODNJYRLON-LNVKXUELSA-N 0 0 388.452 4.610 50 5 GJBARN COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004670571 570819170 /nfs/dbraw/zinc/81/91/70/570819170.db2.gz OPEPPDZBUZRNME-UHFFFAOYSA-N 0 0 376.412 4.764 50 5 GJBARN CC[C@@H](C)N(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012522388 570828841 /nfs/dbraw/zinc/82/88/41/570828841.db2.gz NPISCXHYPHYILA-LJQANCHMSA-N 0 0 398.506 4.982 50 5 GJBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(C2SCCS2)c1 ZINC000065719870 570869735 /nfs/dbraw/zinc/86/97/35/570869735.db2.gz JTUMHFKANHDDPW-UHFFFAOYSA-N 0 0 399.497 4.667 50 5 GJBARN O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc21 ZINC000014131997 570903752 /nfs/dbraw/zinc/90/37/52/570903752.db2.gz HPWQDDLOXHUOOD-XDHOZWIPSA-N 0 0 390.420 4.985 50 5 GJBARN C[C@H](c1cccc2ccccc21)N(C1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032911854 570915054 /nfs/dbraw/zinc/91/50/54/570915054.db2.gz LZFFPHUUIYNYRV-OAHLLOKOSA-N 0 0 396.468 4.662 50 5 GJBARN COc1ccccc1-c1csc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000004072652 570929882 /nfs/dbraw/zinc/92/98/82/570929882.db2.gz ZKRAYHHMMQCOSJ-UHFFFAOYSA-N 0 0 389.820 4.633 50 5 GJBARN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000001310962 570957361 /nfs/dbraw/zinc/95/73/61/570957361.db2.gz FXHMOPBNNBUXKS-UHFFFAOYSA-N 0 0 393.365 4.775 50 5 GJBARN Cc1ccc2oc3nc(C)c(C(=O)Nc4ccc(Cl)cc4)cc3c(=O)c2c1 ZINC000001390938 570978101 /nfs/dbraw/zinc/97/81/01/570978101.db2.gz NTLMVCIARBPXIO-UHFFFAOYSA-N 0 0 378.815 4.864 50 5 GJBARN COc1ccc(-c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)cc1 ZINC000033326990 570980896 /nfs/dbraw/zinc/98/08/96/570980896.db2.gz HTVNOANPVNLQFM-UHFFFAOYSA-N 0 0 397.410 4.809 50 5 GJBARN CCOC(=O)c1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C ZINC000004194701 570993505 /nfs/dbraw/zinc/99/35/05/570993505.db2.gz IZRFMFYAKBHGFU-UHFFFAOYSA-N 0 0 390.442 4.608 50 5 GJBARN COc1cc([N+](=O)[O-])cc2c1O[C@]13C(=C2)CCC[C@]1(C)c1ccccc1N3C ZINC000004794395 570993635 /nfs/dbraw/zinc/99/36/35/570993635.db2.gz AMKZQFXNBZADOW-FGZHOGPDSA-N 0 0 378.428 4.667 50 5 GJBARN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])o2)N1c1ccc(F)cc1Cl ZINC000054683185 570994508 /nfs/dbraw/zinc/99/45/08/570994508.db2.gz QXSWRROCAGSUQW-QGZVFWFLSA-N 0 0 387.754 4.751 50 5 GJBARN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000017207857 210207230 /nfs/dbraw/zinc/20/72/30/210207230.db2.gz ZMUJSQUPWBKHBQ-QFIPXVFZSA-N 0 0 396.406 4.735 50 5 GJBARN COc1ccc(-c2c/c(=N\c3cccc([N+](=O)[O-])c3)c3cc(O)ccc3o2)cc1 ZINC000016917097 210198234 /nfs/dbraw/zinc/19/82/34/210198234.db2.gz SHPPSUUFEVTMEZ-BSYVCWPDSA-N 0 0 388.379 4.955 50 5 biogenic GJBARN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] ZINC000004548568 209495742 /nfs/dbraw/zinc/49/57/42/209495742.db2.gz AKXSFSBEKRJDAG-UHFFFAOYSA-N 0 0 389.367 4.635 50 5 GJBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2NC2CCCCC2)cc1 ZINC000004014494 209458834 /nfs/dbraw/zinc/45/88/34/209458834.db2.gz AUJKCWDNPOLIMA-UHFFFAOYSA-N 0 0 398.419 4.808 50 5 GJBARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O2 ZINC000002687608 209376212 /nfs/dbraw/zinc/37/62/12/209376212.db2.gz TVSOLXAZAHLXCF-CXAGYDPISA-N 0 0 394.214 4.671 50 5 GJBARN O=C(c1ccc([N+](=O)[O-])cc1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000010254562 209324694 /nfs/dbraw/zinc/32/46/94/209324694.db2.gz ZKNQJNASSSOBKG-UHFFFAOYSA-N 0 0 387.823 4.501 50 5 GJBARN CC1(C)C(=O)O[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1=O ZINC000001316006 209319619 /nfs/dbraw/zinc/31/96/19/209319619.db2.gz NXLUMXTWTSVDNI-SFHVURJKSA-N 0 0 396.443 4.529 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000001205983 209312930 /nfs/dbraw/zinc/31/29/30/209312930.db2.gz ZZNWVXVHULEUDE-UHFFFAOYSA-N 0 0 376.412 4.764 50 5 GJBARN Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000001136462 209305577 /nfs/dbraw/zinc/30/55/77/209305577.db2.gz OUDGONCYMYICCS-UHFFFAOYSA-N 0 0 390.395 4.513 50 5 GJBARN Cc1cccc(C(=O)Nc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000001115622 209302600 /nfs/dbraw/zinc/30/26/00/209302600.db2.gz JHSQAMSWLCSOTD-UHFFFAOYSA-N 0 0 390.395 4.513 50 5 GJBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc(C)c1CC ZINC000001117352 209302645 /nfs/dbraw/zinc/30/26/45/209302645.db2.gz FJGDDMZLGONDHT-UHFFFAOYSA-N 0 0 396.852 4.610 50 5 GJBARN CCOc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C)cc1 ZINC000000877685 209276092 /nfs/dbraw/zinc/27/60/92/209276092.db2.gz LIPMNIYASHTDTM-UHFFFAOYSA-N 0 0 383.429 4.678 50 5 GJBARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000000830420 209270817 /nfs/dbraw/zinc/27/08/17/209270817.db2.gz VBTPEIVUODJGRO-UHFFFAOYSA-N 0 0 383.747 4.902 50 5 GJBARN CC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1cc2c(ccc3ccccc32)oc1=O ZINC000002108756 209229985 /nfs/dbraw/zinc/22/99/85/209229985.db2.gz MCDIKUPNNVZQLP-UHFFFAOYSA-N 0 0 398.370 4.645 50 5 biogenic GJBARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000001164362 212060937 /nfs/dbraw/zinc/06/09/37/212060937.db2.gz LMMSLGSFZGHQQU-NRFANRHFSA-N 0 0 375.380 4.684 50 5 GJBARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000008507842 203826560 /nfs/dbraw/zinc/82/65/60/203826560.db2.gz DGOPYRWJPNTGBB-XMHGGMMESA-N 0 0 399.406 4.543 50 5 GJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000001185899 203894626 /nfs/dbraw/zinc/89/46/26/203894626.db2.gz JYQRTDXQKIJUDT-UHFFFAOYSA-N 0 0 387.189 4.870 50 5 GJBARN O=C(Nc1ccc(Br)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000843987 203859042 /nfs/dbraw/zinc/85/90/42/203859042.db2.gz IINXIHKGAQGJML-UHFFFAOYSA-N 0 0 387.189 4.870 50 5 GJBARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000000989921 203870718 /nfs/dbraw/zinc/87/07/18/203870718.db2.gz YROMVRSKSQJAMU-YVEFUNNKSA-N 0 0 385.489 4.661 50 5 GJBARN CCOc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C)cc1 ZINC000004294102 204036982 /nfs/dbraw/zinc/03/69/82/204036982.db2.gz FWRPIKURCBMATJ-UHFFFAOYSA-N 0 0 383.429 4.678 50 5 GJBARN Nc1cc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)ccc1Cl ZINC000003513391 204011812 /nfs/dbraw/zinc/01/18/12/204011812.db2.gz NFKZAZIFPHOAPO-UHFFFAOYSA-N 0 0 379.799 4.539 50 5 GJBARN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H]3Cc4ccccc4[C@@H]23)cc1 ZINC000004147004 204029505 /nfs/dbraw/zinc/02/95/05/204029505.db2.gz OGRVBKLJVZWOAQ-FCHUYYIVSA-N 0 0 385.423 4.536 50 5 GJBARN Cc1ccc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)cc1[N+](=O)[O-] ZINC000004148010 204029509 /nfs/dbraw/zinc/02/95/09/204029509.db2.gz IIVQGWXHJZJGLO-UHFFFAOYSA-N 0 0 382.397 4.603 50 5 GJBARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000004791150 204075777 /nfs/dbraw/zinc/07/57/77/204075777.db2.gz LMHISEFKJFPQHC-UHFFFAOYSA-N 0 0 386.411 4.779 50 5 GJBARN O=C(Nc1cccc2ccccc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004810493 204077461 /nfs/dbraw/zinc/07/74/61/204077461.db2.gz UJYWKHVKUNAENH-UHFFFAOYSA-N 0 0 375.428 4.991 50 5 GJBARN O=C(c1ccc(Br)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004846136 204082552 /nfs/dbraw/zinc/08/25/52/204082552.db2.gz RHMVPKIDMCWWSQ-UHFFFAOYSA-N 0 0 389.249 4.579 50 5 GJBARN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000004457103 204046148 /nfs/dbraw/zinc/04/61/48/204046148.db2.gz HVBVBFGKIGZYOH-SEJMYLSOSA-N 0 0 399.428 4.617 50 5 GJBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1F ZINC000004659487 204061047 /nfs/dbraw/zinc/06/10/47/204061047.db2.gz FGXCMWWIDMVSGU-SDNWHVSQSA-N 0 0 387.370 4.603 50 5 GJBARN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])C1 ZINC000004668100 204062119 /nfs/dbraw/zinc/06/21/19/204062119.db2.gz YAPOZWZUAYUFIB-STQMWFEESA-N 0 0 389.402 4.608 50 5 GJBARN Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 ZINC000005091465 204110813 /nfs/dbraw/zinc/11/08/13/204110813.db2.gz UWJLTIHYTZXZJH-UHFFFAOYSA-N 0 0 395.422 4.911 50 5 GJBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O ZINC000005180245 204118031 /nfs/dbraw/zinc/11/80/31/204118031.db2.gz DZICSJFSYSNPSZ-OAHLLOKOSA-N 0 0 397.482 4.871 50 5 GJBARN CCCCCCC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000005250158 204121493 /nfs/dbraw/zinc/12/14/93/204121493.db2.gz FRGXFVPWGRPRNC-AWEZNQCLSA-N 0 0 396.702 4.790 50 5 GJBARN CCCN(CCC)C(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C ZINC000004931031 204094108 /nfs/dbraw/zinc/09/41/08/204094108.db2.gz ZTEDOROAIRXRGA-UHFFFAOYSA-N 0 0 386.477 4.542 50 5 GJBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(OC(F)F)cc1 ZINC000006597926 204186212 /nfs/dbraw/zinc/18/62/12/204186212.db2.gz NBNDUJJQRDCENM-UHFFFAOYSA-N 0 0 396.345 4.905 50 5 GJBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cc1ccccc1 ZINC000007344771 204240258 /nfs/dbraw/zinc/24/02/58/204240258.db2.gz HZJKTUWEGGBYHA-UHFFFAOYSA-N 0 0 378.453 4.916 50 5 GJBARN Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)cs1 ZINC000007820540 204252213 /nfs/dbraw/zinc/25/22/13/204252213.db2.gz ZYQJNMSNPVZBDG-UHFFFAOYSA-N 0 0 393.877 4.672 50 5 GJBARN O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)Nc1ccc(F)cc1 ZINC000007978629 204256410 /nfs/dbraw/zinc/25/64/10/204256410.db2.gz BPYHXZRVBQXUAJ-UHFFFAOYSA-N 0 0 380.379 4.528 50 5 GJBARN O=C(COc1ccccc1Cl)Nc1ccc2c(=O)c3cccc(F)c3oc2c1 ZINC000009328345 204307766 /nfs/dbraw/zinc/30/77/66/204307766.db2.gz HFIVXZPGGRLOFZ-UHFFFAOYSA-N 0 0 397.789 4.756 50 5 GJBARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SCC(=O)N2 ZINC000009360249 204308919 /nfs/dbraw/zinc/30/89/19/204308919.db2.gz OUVAKNXTEUULMC-IBGZPJMESA-N 0 0 394.456 4.822 50 5 GJBARN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012510875 204416787 /nfs/dbraw/zinc/41/67/87/204416787.db2.gz SUGFYNQSPSUPNN-UHFFFAOYSA-N 0 0 394.258 4.757 50 5 GJBARN O=C(C[C@@H](C(=O)c1ccccc1)c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000012547147 204421349 /nfs/dbraw/zinc/42/13/49/204421349.db2.gz BPPXQHGWOAOYRD-SFHVURJKSA-N 0 0 399.406 4.711 50 5 GJBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000012754506 204442768 /nfs/dbraw/zinc/44/27/68/204442768.db2.gz VLBUPHIKTMIEET-GFCCVEGCSA-N 0 0 387.486 4.542 50 5 GJBARN CCc1ccc(CN(Cc2cccnc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000039985763 205045102 /nfs/dbraw/zinc/04/51/02/205045102.db2.gz WXSCBRZDJSFYSD-UHFFFAOYSA-N 0 0 390.443 4.787 50 5 GJBARN Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C ZINC000001121706 206211789 /nfs/dbraw/zinc/21/17/89/206211789.db2.gz GYISSCMJHJBLFH-QFIPXVFZSA-N 0 0 389.407 4.993 50 5 GJBARN COc1cc(-c2oc3c4ccccc4ccc3c(=O)c2O)ccc1N1CCCC1 ZINC000100204971 211384268 /nfs/dbraw/zinc/38/42/68/211384268.db2.gz ZJYFLTGQGIZYOU-UHFFFAOYSA-N 0 0 387.435 4.928 50 5 GJBARN O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)cc4oc3c(-c3cccnc3)c12 ZINC000095475143 211247556 /nfs/dbraw/zinc/24/75/56/211247556.db2.gz OSXKUESUUMPMTG-UHFFFAOYSA-N 0 0 386.411 4.919 50 5 GJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 ZINC000061997130 210931883 /nfs/dbraw/zinc/93/18/83/210931883.db2.gz JHFBFCKJKFZCCV-UHFFFAOYSA-N 0 0 381.388 4.598 50 5 GJBARN O=[N+]([O-])c1cccc(Cl)c1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000020218576 210325127 /nfs/dbraw/zinc/32/51/27/210325127.db2.gz YVPUHCJLDDRJSF-UHFFFAOYSA-N 0 0 395.168 4.839 50 5 GJBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000004306424 220703053 /nfs/dbraw/zinc/70/30/53/220703053.db2.gz NGVFUOMJXADYRE-PXNSSMCTSA-N 0 0 377.425 4.899 50 5 GJBARN Cc1nc2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000006216179 136195057 /nfs/dbraw/zinc/19/50/57/136195057.db2.gz VAOMZKJJZWGCKI-UHFFFAOYSA-N 0 0 396.472 4.756 50 5 GJBARN O=C(Nc1cccc(Br)c1)c1cc2c(ccc3ccccc32)oc1=O ZINC000000845988 570226377 /nfs/dbraw/zinc/22/63/77/570226377.db2.gz RIFFNZBOMVCBPN-UHFFFAOYSA-N 0 0 394.224 4.961 50 5 GJBARN Cc1sc2nc3c4ccccc4c(NC4CCCCC4)nn3c(=O)c2c1C ZINC000000944676 570230663 /nfs/dbraw/zinc/23/06/63/570230663.db2.gz MJJXTLCGJUFLQC-UHFFFAOYSA-N 0 0 378.501 4.819 50 5 GJBARN O=C(OCc1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000006080285 570235695 /nfs/dbraw/zinc/23/56/95/570235695.db2.gz CBQRBOUPLVEMIC-UHFFFAOYSA-N 0 0 397.456 4.552 50 5 GJBARN COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC000024832728 570310722 /nfs/dbraw/zinc/31/07/22/570310722.db2.gz JWGWAPSKFXSXGI-ZDUSSCGKSA-N 0 0 388.851 4.698 50 5 GJBARN Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 ZINC000005052694 570406668 /nfs/dbraw/zinc/40/66/68/570406668.db2.gz DHOXCMNSRGAGDA-UHFFFAOYSA-N 0 0 381.395 4.852 50 5 GJBARN Cc1cccc(-n2cnc3c(c4nc5ccccc5nc4n3CCC(C)C)c2=O)c1 ZINC000004867372 570413881 /nfs/dbraw/zinc/41/38/81/570413881.db2.gz YDORTVNWSUYUSE-UHFFFAOYSA-N 0 0 397.482 4.638 50 5 GJBARN O=[N+]([O-])c1nc(Sc2ccccc2)n(C(c2ccccc2)c2ccccc2)n1 ZINC000005111622 570419505 /nfs/dbraw/zinc/41/95/05/570419505.db2.gz HUCJDDWCEDSMFX-UHFFFAOYSA-N 0 0 388.452 4.975 50 5 GJBARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001939437 570450552 /nfs/dbraw/zinc/45/05/52/570450552.db2.gz SZLIQOYKTQRGQT-UHFFFAOYSA-N 0 0 384.432 4.637 50 5 GJBARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000005175625 570493370 /nfs/dbraw/zinc/49/33/70/570493370.db2.gz YPNFSEYULSIKFE-UHFFFAOYSA-N 0 0 399.790 4.654 50 5 GJBARN O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1ccccc1Br ZINC000006660351 570521713 /nfs/dbraw/zinc/52/17/13/570521713.db2.gz QHBXSNUYSRAFMO-UHFFFAOYSA-N 0 0 394.224 4.961 50 5 GJBARN O=[N+]([O-])c1ccc(N=P(c2ccccc2)(N2CCCC2)N2CCCC2)cc1 ZINC000005577460 570659881 /nfs/dbraw/zinc/65/98/81/570659881.db2.gz KYWNNNVHNNDFGL-UHFFFAOYSA-N 0 0 384.420 4.775 50 5 GJBARN CC(C)(C)c1ccc(C2=N/C(=C\C=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000004611321 570666293 /nfs/dbraw/zinc/66/62/93/570666293.db2.gz XQPVUXIZTMQQFC-GIRMVSSCSA-N 0 0 376.412 4.793 50 5 GJBARN CC(C)(C)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000000957236 570737021 /nfs/dbraw/zinc/73/70/21/570737021.db2.gz ISRBJXXYKIOXAJ-UHFFFAOYSA-N 0 0 378.222 4.874 50 5 GJBARN O=[N+]([O-])c1cc2onc(C3OCCO3)c2c(SCc2ccc(Cl)cc2)c1 ZINC000001069819 570750167 /nfs/dbraw/zinc/75/01/67/570750167.db2.gz VGEPFPAAQXLWJI-UHFFFAOYSA-N 0 0 392.820 4.727 50 5 GJBARN CCOc1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(OCC)c1OCC ZINC000001120848 570754771 /nfs/dbraw/zinc/75/47/71/570754771.db2.gz LGPHJQGAICSGNS-UHFFFAOYSA-N 0 0 399.403 4.508 50 5 GJBARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cc([N+](=O)[O-])ccc1Cl ZINC000001134913 570756288 /nfs/dbraw/zinc/75/62/88/570756288.db2.gz BIYKWBKOZHCIGD-UHFFFAOYSA-N 0 0 385.832 4.723 50 5 GJBARN Cc1nc([N+](=O)[O-])c(Sc2nc3cc(C)c(C)cc3[nH]2)n1Cc1ccccc1 ZINC000001132803 570756576 /nfs/dbraw/zinc/75/65/76/570756576.db2.gz IGVASXQFZVWRKR-UHFFFAOYSA-N 0 0 393.472 4.792 50 5 GJBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c([N+](=O)[O-])c1 ZINC000007036586 570756826 /nfs/dbraw/zinc/75/68/26/570756826.db2.gz CWXDFKGDCBEQDY-UHFFFAOYSA-N 0 0 379.159 4.867 50 5 GJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1c(Br)sc2c1CCCC2 ZINC000001158777 570757915 /nfs/dbraw/zinc/75/79/15/570757915.db2.gz PBZZOUUJHILSPL-UHFFFAOYSA-N 0 0 381.251 4.550 50 5 GJBARN O=C(Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000001207562 570793323 /nfs/dbraw/zinc/79/33/23/570793323.db2.gz GDCDXVOXVDKOOW-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN CCn1ncc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccc([N+](=O)[O-])cc2)c1C ZINC000005674622 570799658 /nfs/dbraw/zinc/79/96/58/570799658.db2.gz MOWKPMDNJOSCDA-NRFANRHFSA-N 0 0 393.422 4.614 50 5 GJBARN Cc1ccc(C)c(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1 ZINC000004479495 570802010 /nfs/dbraw/zinc/80/20/10/570802010.db2.gz DHVXOUIIPYCPRC-UHFFFAOYSA-N 0 0 394.412 4.729 50 5 GJBARN Cc1ccc(/C=C/c2nn(-c3ccc([N+](=O)[O-])cc3)c3c2ccccc3=O)cc1 ZINC000004667312 570811563 /nfs/dbraw/zinc/81/15/63/570811563.db2.gz ACVYJLPBGBPVBU-XNTDXEJSSA-N 0 0 383.407 4.773 50 5 GJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(c2ccccc2)CC1 ZINC000012540987 570841115 /nfs/dbraw/zinc/84/11/15/570841115.db2.gz DXDPPVORECPQEI-UHFFFAOYSA-N 0 0 396.490 4.561 50 5 GJBARN CCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102664932 570856466 /nfs/dbraw/zinc/85/64/66/570856466.db2.gz APKJKYYQRLMXLH-INIZCTEOSA-N 0 0 399.476 4.606 50 5 GJBARN Cc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c(C)c1 ZINC000004553116 570863784 /nfs/dbraw/zinc/86/37/84/570863784.db2.gz NTHZNLNZIXMODZ-UHFFFAOYSA-N 0 0 388.379 4.805 50 5 GJBARN Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1[N+](=O)[O-] ZINC000012588508 570882647 /nfs/dbraw/zinc/88/26/47/570882647.db2.gz ZTCWTHKXNOTQEM-UHFFFAOYSA-N 0 0 390.443 4.694 50 5 GJBARN O=C(CCSc1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000004079320 570930677 /nfs/dbraw/zinc/93/06/77/570930677.db2.gz OOWOLNWVSIRWSE-UHFFFAOYSA-N 0 0 385.470 4.839 50 5 GJBARN Cc1cc([N+](=O)[O-])cc2nc(CCCc3nc4cc([N+](=O)[O-])cc(C)c4o3)oc21 ZINC000098086939 570991311 /nfs/dbraw/zinc/99/13/11/570991311.db2.gz FDKRQXSRIAEUCS-UHFFFAOYSA-N 0 0 396.359 4.578 50 5 GJBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000012776610 571030246 /nfs/dbraw/zinc/03/02/46/571030246.db2.gz MGWHWHHJJXXSGN-AWEZNQCLSA-N 0 0 397.406 4.541 50 5 GJBARN O=[N+]([O-])c1cccc(C2=NNC(c3ccccc3)=C(c3nc4ccccc4[nH]3)C2)c1 ZINC000014196410 210108888 /nfs/dbraw/zinc/10/88/88/210108888.db2.gz CSIJRUQHLMVQOR-UHFFFAOYSA-N 0 0 395.422 4.941 50 5 GJBARN Cc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1[N+](=O)[O-] ZINC000012763964 210004858 /nfs/dbraw/zinc/00/48/58/210004858.db2.gz SEAOSMJBWRCTQG-UHFFFAOYSA-N 0 0 393.424 4.703 50 5 GJBARN Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000006789921 209687072 /nfs/dbraw/zinc/68/70/72/209687072.db2.gz MLDLKQAYRWBGSH-UHFFFAOYSA-N 0 0 380.469 4.850 50 5 GJBARN Cc1nn(C(C)(C)C)c(OC(=O)CC(C)C)c1Sc1ccccc1[N+](=O)[O-] ZINC000002718573 209380106 /nfs/dbraw/zinc/38/01/06/209380106.db2.gz LMQLGIULIOLNAU-UHFFFAOYSA-N 0 0 391.493 4.957 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002311993 209356650 /nfs/dbraw/zinc/35/66/50/209356650.db2.gz JMRCGFOMEYXBFO-UHFFFAOYSA-N 0 0 399.230 4.708 50 5 GJBARN O=[N+]([O-])c1cccc(-c2noc(CCCOc3ccc(Cl)cc3Cl)n2)c1 ZINC000002269288 209353604 /nfs/dbraw/zinc/35/36/04/209353604.db2.gz GPNZHUSTDKBUBK-UHFFFAOYSA-N 0 0 394.214 4.963 50 5 GJBARN CC(=O)Oc1cn(-c2ccc(C)c(C)c2)c2nc(C)n3c4ccccc4nc3c12 ZINC000002242404 209353040 /nfs/dbraw/zinc/35/30/40/209353040.db2.gz USSLOYVCLPMOHY-UHFFFAOYSA-N 0 0 384.439 4.677 50 5 GJBARN Cc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000001207622 209315218 /nfs/dbraw/zinc/31/52/18/209315218.db2.gz VIEOIBBJUGOVFI-UHFFFAOYSA-N 0 0 399.790 4.654 50 5 GJBARN CCc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3O)nc2c1 ZINC000001211282 209314729 /nfs/dbraw/zinc/31/47/29/209314729.db2.gz RKGKMYCVIYRPAR-UHFFFAOYSA-N 0 0 393.355 4.516 50 5 GJBARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001169928 209309745 /nfs/dbraw/zinc/30/97/45/209309745.db2.gz XHOSOUMGJXXEQI-UHFFFAOYSA-N 0 0 394.774 4.704 50 5 GJBARN COc1cc(C=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001144682 209306683 /nfs/dbraw/zinc/30/66/83/209306683.db2.gz LBWCLKBBHHXSQI-UHFFFAOYSA-N 0 0 375.686 4.880 50 5 GJBARN Cc1nc2c(sc3cc([N+](=O)[O-])cc(SCc4ccccc4)c32)c(=O)n1C ZINC000001089629 209300038 /nfs/dbraw/zinc/30/00/38/209300038.db2.gz PQVSVTJPYIEPAH-UHFFFAOYSA-N 0 0 397.481 4.657 50 5 GJBARN CC(C)CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000945262 209282006 /nfs/dbraw/zinc/28/20/06/209282006.db2.gz OIOVPDDPKUSADZ-UHFFFAOYSA-N 0 0 390.823 4.703 50 5 GJBARN CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(OC)cc1 ZINC000000877724 209276385 /nfs/dbraw/zinc/27/63/85/209276385.db2.gz WLGSLXJHRNLJAQ-UHFFFAOYSA-N 0 0 397.456 4.932 50 5 GJBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000000843652 209271365 /nfs/dbraw/zinc/27/13/65/209271365.db2.gz NGVFUOMJXADYRE-FXAWDEMLSA-N 0 0 377.425 4.899 50 5 GJBARN O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000823295 209269555 /nfs/dbraw/zinc/26/95/55/209269555.db2.gz RIANNPYNUKVCAK-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001036413 203875572 /nfs/dbraw/zinc/87/55/72/203875572.db2.gz VBNFQAAXNULMMC-UHFFFAOYSA-N 0 0 396.424 4.752 50 5 GJBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc2ccccc12 ZINC000003039368 203982766 /nfs/dbraw/zinc/98/27/66/203982766.db2.gz GASKLYJLAXHGJH-YVLHZVERSA-N 0 0 378.771 4.746 50 5 GJBARN CCCCCCC(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003122762 203986017 /nfs/dbraw/zinc/98/60/17/203986017.db2.gz TTXKCKNWOOHSGU-CQSZACIVSA-N 0 0 396.702 4.790 50 5 GJBARN Cc1ccc(NC(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)cc1Cl ZINC000004706952 204067051 /nfs/dbraw/zinc/06/70/51/204067051.db2.gz BKDCULWLRCBAPC-UHFFFAOYSA-N 0 0 396.834 4.816 50 5 GJBARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc12 ZINC000004757635 204074855 /nfs/dbraw/zinc/07/48/55/204074855.db2.gz WPBDCBHPRVFQMY-UHFFFAOYSA-N 0 0 394.431 4.533 50 5 GJBARN CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O[C@@]312 ZINC000004794347 204077028 /nfs/dbraw/zinc/07/70/28/204077028.db2.gz WZPULXTWYBZUOB-NHCUHLMSSA-N 0 0 393.399 4.567 50 5 aggregator GJBARN COc1cccc(NC(=O)c2ccc(NCc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 ZINC000004668245 204062205 /nfs/dbraw/zinc/06/22/05/204062205.db2.gz PDGQUVOILHOMNY-UHFFFAOYSA-N 0 0 391.427 4.776 50 5 GJBARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005028179 204104763 /nfs/dbraw/zinc/10/47/63/204104763.db2.gz SOAPIRYWQJNTQY-UHFFFAOYSA-N 0 0 393.168 4.803 50 5 GJBARN Cc1ccc(-c2nc(COC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000005842665 204152504 /nfs/dbraw/zinc/15/25/04/204152504.db2.gz LQAMQTHJZNZXHF-JXMROGBWSA-N 0 0 380.425 4.783 50 5 GJBARN CCc1cccc(-n2cc(OC(C)=O)c3c4nc5ccccc5n4c(C)nc32)c1 ZINC000005478562 204135238 /nfs/dbraw/zinc/13/52/38/204135238.db2.gz GDEDEKRAPMYWIO-UHFFFAOYSA-N 0 0 384.439 4.623 50 5 GJBARN Cc1cc(NC(=O)CSc2cc(C)c3ccccc3n2)c([N+](=O)[O-])cc1C ZINC000005659898 204144175 /nfs/dbraw/zinc/14/41/75/204144175.db2.gz MAFCLCXAUIQVDI-UHFFFAOYSA-N 0 0 381.457 4.799 50 5 GJBARN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])C1 ZINC000006249435 204172948 /nfs/dbraw/zinc/17/29/48/204172948.db2.gz UWYMWGGSHNZEGW-LLVKDONJSA-N 0 0 393.365 4.501 50 5 GJBARN O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1)c1ccco1 ZINC000006557886 204183905 /nfs/dbraw/zinc/18/39/05/204183905.db2.gz FVZWPGCXFVMIFS-UHFFFAOYSA-N 0 0 375.340 4.781 50 5 GJBARN CC(=O)Nc1cccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000006596938 204185820 /nfs/dbraw/zinc/18/58/20/204185820.db2.gz YPACEXNPNGVVJS-UHFFFAOYSA-N 0 0 376.368 4.577 50 5 GJBARN O=C(COc1ccccc1)Nc1ccc2c(c1)oc1c(Cl)cccc1c2=O ZINC000006660775 204190655 /nfs/dbraw/zinc/19/06/55/204190655.db2.gz ISEDCQPUYVEXHV-UHFFFAOYSA-N 0 0 379.799 4.617 50 5 GJBARN Cc1cc(C)cc(NC(=O)[C@H](Oc2ccc(C)nc2[N+](=O)[O-])c2ccccc2)c1 ZINC000006912400 204222577 /nfs/dbraw/zinc/22/25/77/204222577.db2.gz YBGGJHXKUWOFNR-HXUWFJFHSA-N 0 0 391.427 4.674 50 5 GJBARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007779050 204250153 /nfs/dbraw/zinc/25/01/53/204250153.db2.gz VQMSGMUOMQANMW-UHFFFAOYSA-N 0 0 385.832 4.723 50 5 GJBARN C[C@H](Sc1ccc(C(F)(F)F)cn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008780419 204290036 /nfs/dbraw/zinc/29/00/36/204290036.db2.gz VLGIJHOUZONANH-VIFPVBQESA-N 0 0 396.350 4.912 50 5 GJBARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000008156872 204264286 /nfs/dbraw/zinc/26/42/86/204264286.db2.gz UGEUUXWHJUEJPV-MRXNPFEDSA-N 0 0 379.460 4.567 50 5 GJBARN Cc1cc(C)c(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000012797566 204451676 /nfs/dbraw/zinc/45/16/76/204451676.db2.gz ZYONRQNJRWWJDD-INIZCTEOSA-N 0 0 378.428 4.621 50 5 GJBARN O=C1S/C(=C/c2ccc(Cl)s2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000013546561 204494347 /nfs/dbraw/zinc/49/43/47/204494347.db2.gz MROLPWJYASPVFT-KPKJPENVSA-N 0 0 380.834 4.546 50 5 GJBARN C/C=C/c1ccc(OCCOC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000001753795 209169597 /nfs/dbraw/zinc/16/95/97/209169597.db2.gz DBPOGAYVSIXKFL-SNAWJCMRSA-N 0 0 386.404 4.572 50 5 GJBARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c12 ZINC000022318616 204778857 /nfs/dbraw/zinc/77/88/57/204778857.db2.gz FYQJNDAEMQCURI-UHFFFAOYSA-N 0 0 388.383 4.667 50 5 GJBARN Cc1sc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] ZINC000031808216 204905354 /nfs/dbraw/zinc/90/53/54/204905354.db2.gz JAPMWGWKBKVCLY-UHFFFAOYSA-N 0 0 381.385 4.619 50 5 GJBARN Cc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247061 205008993 /nfs/dbraw/zinc/00/89/93/205008993.db2.gz UWINGPAAQSBYCP-UHFFFAOYSA-N 0 0 396.468 4.607 50 5 GJBARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000040130865 205055756 /nfs/dbraw/zinc/05/57/56/205055756.db2.gz JWDQOJLZMCQSOA-UHFFFAOYSA-N 0 0 398.850 4.540 50 5 GJBARN CSc1ccc(-c2csc(NC(=O)c3csc([N+](=O)[O-])c3)n2)cc1 ZINC000040141309 205057151 /nfs/dbraw/zinc/05/71/51/205057151.db2.gz KXRXQQGFLZSCFC-UHFFFAOYSA-N 0 0 377.472 4.754 50 5 GJBARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000040142570 205057832 /nfs/dbraw/zinc/05/78/32/205057832.db2.gz SCJDIMJFXZEWMS-SUMWQHHRSA-N 0 0 388.489 4.807 50 5 GJBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2C2CCCCC2)c1=O ZINC000050571166 205131428 /nfs/dbraw/zinc/13/14/28/205131428.db2.gz ACMWUQQCJBBTNT-AWEZNQCLSA-N 0 0 375.476 4.771 50 5 GJBARN O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000225533777 206054343 /nfs/dbraw/zinc/05/43/43/206054343.db2.gz DKEKQURGWHZZSU-MRXNPFEDSA-N 0 0 383.839 4.765 50 5 GJBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000031953617 206088091 /nfs/dbraw/zinc/08/80/91/206088091.db2.gz MBLJEHSXXAHOEE-SECBINFHSA-N 0 0 388.729 4.638 50 5 GJBARN CCCOc1ccc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000032954741 206094661 /nfs/dbraw/zinc/09/46/61/206094661.db2.gz BJNGZUCPYWLFNU-XYOKQWHBSA-N 0 0 385.416 4.539 50 5 GJBARN COc1cc(NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(OC)cc1Cl ZINC000004771222 206184022 /nfs/dbraw/zinc/18/40/22/206184022.db2.gz PBNZJFGVLUOTTP-UHFFFAOYSA-N 0 0 386.191 4.563 50 5 GJBARN Cc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000004799770 206185093 /nfs/dbraw/zinc/18/50/93/206185093.db2.gz OAICQWCDDWVZKZ-UHFFFAOYSA-N 0 0 389.622 4.881 50 5 GJBARN CC(C)N(Cc1ccc(N2CCC[C@H]2C)nc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000089929877 211187365 /nfs/dbraw/zinc/18/73/65/211187365.db2.gz QHEMZVLFCZKFPQ-MRXNPFEDSA-N 0 0 386.471 4.528 50 5 GJBARN C/C=C1\CC(C)(C)C[C@H]2C[C@@]2(C)[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071786231 570272126 /nfs/dbraw/zinc/27/21/26/570272126.db2.gz XXFAOJHAKYKGCP-DHGDTKEHSA-N 0 0 388.420 4.821 50 5 GJBARN COC(=O)c1c2ccc3c2n2c(cccc2c1C(=O)OC)cc3-c1ccccc1 ZINC000000643144 570279679 /nfs/dbraw/zinc/27/96/79/570279679.db2.gz LIIFDTHXUURYEU-UHFFFAOYSA-N 0 0 383.403 4.924 50 5 GJBARN Cc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000000741306 570312510 /nfs/dbraw/zinc/31/25/10/570312510.db2.gz ADLWWZBCCLNIKY-UHFFFAOYSA-N 0 0 384.819 4.992 50 5 GJBARN COc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000006306541 570366999 /nfs/dbraw/zinc/36/69/99/570366999.db2.gz PUGZXSXLJTUZJI-UHFFFAOYSA-N 0 0 390.439 4.555 50 5 GJBARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000826625 570374655 /nfs/dbraw/zinc/37/46/55/570374655.db2.gz UKZYBODSEQARHP-GZTJUZNOSA-N 0 0 394.770 4.853 50 5 GJBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 ZINC000005032711 570401600 /nfs/dbraw/zinc/40/16/00/570401600.db2.gz NBJWPJAYFNHKDV-BUHFOSPRSA-N 0 0 397.434 4.718 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000005041612 570404672 /nfs/dbraw/zinc/40/46/72/570404672.db2.gz IRSIOHVRTNTUCT-UHFFFAOYSA-N 0 0 389.717 4.920 50 5 GJBARN Cc1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc12 ZINC000007979232 570500092 /nfs/dbraw/zinc/50/00/92/570500092.db2.gz FFYKRILCQBWUAJ-UHFFFAOYSA-N 0 0 387.848 4.836 50 5 GJBARN O=C(Nc1cccc(Cl)c1)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 ZINC000005102152 570541685 /nfs/dbraw/zinc/54/16/85/570541685.db2.gz PCGABVJATDATQB-UHFFFAOYSA-N 0 0 382.807 4.508 50 5 GJBARN Cn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccccc3)nc21 ZINC000006804517 570608486 /nfs/dbraw/zinc/60/84/86/570608486.db2.gz SYBHBTZVFHBHPC-UHFFFAOYSA-N 0 0 376.419 4.555 50 5 GJBARN CCCCc1ccc(C2=NC(=CNc3ccc([N+](=O)[O-])cc3Cl)C(=O)O2)cc1 ZINC000004590525 570621883 /nfs/dbraw/zinc/62/18/83/570621883.db2.gz BSLKDRUDKKZVHY-PDGQHHTCSA-N 0 0 399.834 4.848 50 5 GJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1SCC(F)(F)F ZINC000024988787 570661809 /nfs/dbraw/zinc/66/18/09/570661809.db2.gz UWTXQHKGBVLVTO-UHFFFAOYSA-N 0 0 399.394 4.608 50 5 GJBARN CC(C)(C)c1ccc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn32)cc1 ZINC000013726106 570671519 /nfs/dbraw/zinc/67/15/19/570671519.db2.gz VZCISMZELZEKPJ-UHFFFAOYSA-N 0 0 379.445 4.726 50 5 GJBARN CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc(C)c1CC ZINC000000998069 570742578 /nfs/dbraw/zinc/74/25/78/570742578.db2.gz MNVMLKABJGDCFM-UHFFFAOYSA-N 0 0 396.852 4.610 50 5 GJBARN COc1ccc(Cn2c3ccccc3nc2COc2ccccc2)cc1[N+](=O)[O-] ZINC000001049510 570748032 /nfs/dbraw/zinc/74/80/32/570748032.db2.gz DYXHKMYUWVVWDK-UHFFFAOYSA-N 0 0 389.411 4.580 50 5 GJBARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 ZINC000001084388 570751683 /nfs/dbraw/zinc/75/16/83/570751683.db2.gz UIQRZGLZDWPCJR-UHFFFAOYSA-N 0 0 377.356 4.811 50 5 GJBARN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000001095921 570752017 /nfs/dbraw/zinc/75/20/17/570752017.db2.gz FTNSFKAFDNIENS-UHFFFAOYSA-N 0 0 389.436 4.586 50 5 aggregator GJBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N1CCCCC1 ZINC000001126751 570753366 /nfs/dbraw/zinc/75/33/66/570753366.db2.gz CYCCWPXCZGZFSN-PKNBQFBNSA-N 0 0 385.851 4.890 50 5 GJBARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001129177 570755490 /nfs/dbraw/zinc/75/54/90/570755490.db2.gz LFGMEKHKRBTDMG-NSHDSACASA-N 0 0 391.880 4.889 50 5 GJBARN CC1(C)C(=O)O[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1=O ZINC000001121800 570756164 /nfs/dbraw/zinc/75/61/64/570756164.db2.gz QZDPHUITRFSMAL-SFHVURJKSA-N 0 0 396.443 4.529 50 5 GJBARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000001155372 570757697 /nfs/dbraw/zinc/75/76/97/570757697.db2.gz KTWGHBUPZDVYIZ-UHFFFAOYSA-N 0 0 377.331 4.794 50 5 GJBARN CCOc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] ZINC000001156548 570757851 /nfs/dbraw/zinc/75/78/51/570757851.db2.gz QXGBHKVBKDMSFV-UHFFFAOYSA-N 0 0 393.237 4.625 50 5 GJBARN Cc1cc(Br)cc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001180357 570790900 /nfs/dbraw/zinc/79/09/00/570790900.db2.gz NFIQMPPWTPOTLT-UHFFFAOYSA-N 0 0 383.629 4.880 50 5 GJBARN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc2ccccc2o1 ZINC000012543105 570843663 /nfs/dbraw/zinc/84/36/63/570843663.db2.gz DRPYAMBDCBIFEJ-INIZCTEOSA-N 0 0 396.446 4.778 50 5 GJBARN O=[N+]([O-])c1ccccc1N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000012551094 570854193 /nfs/dbraw/zinc/85/41/93/570854193.db2.gz XMRWCTVMWLRNMJ-UHFFFAOYSA-N 0 0 384.823 4.682 50 5 GJBARN Cn1ccnc1[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F ZINC000012558664 570861111 /nfs/dbraw/zinc/86/11/11/570861111.db2.gz WNFHLUSKKDGASJ-INIZCTEOSA-N 0 0 394.328 4.688 50 5 GJBARN O=[N+]([O-])c1ccccc1SNc1cc(C(F)(F)F)ccc1-n1ccnc1 ZINC000012559742 570861691 /nfs/dbraw/zinc/86/16/91/570861691.db2.gz QVATVWSRYYHHMS-UHFFFAOYSA-N 0 0 380.351 4.919 50 5 GJBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2ccccc21 ZINC000004724532 570862840 /nfs/dbraw/zinc/86/28/40/570862840.db2.gz MHDCQVUMYLRBGV-UHFFFAOYSA-N 0 0 385.832 4.528 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000013330015 570895527 /nfs/dbraw/zinc/89/55/27/570895527.db2.gz FRQRYOVYWVLTKA-VIFPVBQESA-N 0 0 384.219 4.793 50 5 GJBARN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013961530 570909154 /nfs/dbraw/zinc/90/91/54/570909154.db2.gz KDYLBMUQGAEFSB-UHFFFAOYSA-N 0 0 394.258 4.757 50 5 GJBARN O=[N+]([O-])c1cccnc1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000001395070 570977603 /nfs/dbraw/zinc/97/76/03/570977603.db2.gz BWNJAGVIXDXVNI-UHFFFAOYSA-N 0 0 387.424 4.660 50 5 GJBARN Cc1ccc(-c2csc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC000033333576 570989025 /nfs/dbraw/zinc/98/90/25/570989025.db2.gz JTAZENVWYLIGCP-POHAHGRESA-N 0 0 379.441 4.987 50 5 GJBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(Cc2ccccc2)CC1 ZINC000015511448 571010062 /nfs/dbraw/zinc/01/00/62/571010062.db2.gz JOHDLKBCYHGXND-UHFFFAOYSA-N 0 0 380.469 4.904 50 5 GJBARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007780370 571037921 /nfs/dbraw/zinc/03/79/21/571037921.db2.gz JVXHQGMQYYQUDB-MRXNPFEDSA-N 0 0 380.425 4.822 50 5 GJBARN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835564 210172360 /nfs/dbraw/zinc/17/23/60/210172360.db2.gz XFNNZVHLPCFHJN-FQEVSTJZSA-N 0 0 391.452 4.999 50 5 GJBARN O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000015016302 210143046 /nfs/dbraw/zinc/14/30/46/210143046.db2.gz WOVOPMKCIDWQHD-XLIONFOSSA-N 0 0 377.425 4.899 50 5 GJBARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000008562760 209784907 /nfs/dbraw/zinc/78/49/07/209784907.db2.gz XRGQAOGYUQIBKZ-AWEZNQCLSA-N 0 0 380.375 4.807 50 5 GJBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(CC)cc2)c1=O ZINC000005249600 209583038 /nfs/dbraw/zinc/58/30/38/209583038.db2.gz IXQHFHYMCGIPFQ-UHFFFAOYSA-N 0 0 397.482 4.564 50 5 GJBARN O=C(CCn1c2ccccc2oc1=S)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004686736 209511797 /nfs/dbraw/zinc/51/17/97/209511797.db2.gz YZBMFDQYRGGJIL-UHFFFAOYSA-N 0 0 377.809 4.554 50 5 GJBARN C[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000004299899 209477429 /nfs/dbraw/zinc/47/74/29/209477429.db2.gz DNLYKRBIDIHFQR-SNVBAGLBSA-N 0 0 375.347 4.784 50 5 GJBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000004306430 209476619 /nfs/dbraw/zinc/47/66/19/209476619.db2.gz NGVFUOMJXADYRE-XLIONFOSSA-N 0 0 377.425 4.899 50 5 GJBARN CC(C)(C)C(=O)Nc1ccc2oc3ccc(NC(=O)C(C)(C)C)cc3c(=O)c2c1 ZINC000004134595 209466976 /nfs/dbraw/zinc/46/69/76/209466976.db2.gz PCPAHCABSOHVME-UHFFFAOYSA-N 0 0 394.471 4.915 50 5 GJBARN Cc1ccc(-n2c(=O)c3c(nc2-c2cccs2)oc2ccccc2c3=O)cc1 ZINC000002354182 209358173 /nfs/dbraw/zinc/35/81/73/209358173.db2.gz MVYTWUNIOSUURO-UHFFFAOYSA-N 0 0 386.432 4.529 50 5 GJBARN O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3ccccc3)c2c1 ZINC000001389345 209325724 /nfs/dbraw/zinc/32/57/24/209325724.db2.gz YOIVLKBZTXOSAW-UHFFFAOYSA-N 0 0 379.803 4.894 50 5 aggregator GJBARN O=C(Nc1cc2cccc([N+](=O)[O-])c2oc1=O)c1ccc(-c2ccccc2)cc1 ZINC000001510872 209331387 /nfs/dbraw/zinc/33/13/87/209331387.db2.gz VYVIPACZVKTEBK-UHFFFAOYSA-N 0 0 386.363 4.621 50 5 GJBARN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000001218992 209316012 /nfs/dbraw/zinc/31/60/12/209316012.db2.gz YSZQJCIZPOSDJS-UHFFFAOYSA-N 0 0 377.331 4.794 50 5 GJBARN COc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001115358 209302161 /nfs/dbraw/zinc/30/21/61/209302161.db2.gz SHRODHNFTBAXTD-UHFFFAOYSA-N 0 0 379.368 4.753 50 5 GJBARN O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])cc1SCc1ccccc1 ZINC000001066477 209295588 /nfs/dbraw/zinc/29/55/88/209295588.db2.gz PPBLRHHQNNUXLN-UHFFFAOYSA-N 0 0 378.453 4.817 50 5 GJBARN O=[N+]([O-])c1ccc(Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc1 ZINC000001046449 209293031 /nfs/dbraw/zinc/29/30/31/209293031.db2.gz STVIRZLKIYANMZ-UHFFFAOYSA-N 0 0 377.278 4.988 50 5 GJBARN CCOC(=O)c1sc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1C ZINC000001047414 209292911 /nfs/dbraw/zinc/29/29/11/209292911.db2.gz XAHGQAHNIRYJGO-UHFFFAOYSA-N 0 0 392.380 4.706 50 5 GJBARN Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000861668 209272972 /nfs/dbraw/zinc/27/29/72/209272972.db2.gz QHKDKHMOEBZHNS-UHFFFAOYSA-N 0 0 382.763 4.929 50 5 GJBARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000830410 209270456 /nfs/dbraw/zinc/27/04/56/209270456.db2.gz KXROYXDQXPLDFM-UHFFFAOYSA-N 0 0 383.747 4.902 50 5 GJBARN CCOc1ccccc1NC(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000000669019 209256748 /nfs/dbraw/zinc/25/67/48/209256748.db2.gz YFGINFJBENSMLY-UHFFFAOYSA-N 0 0 396.399 4.726 50 5 GJBARN CC(=O)c1c(C)nc2sc3c4ncnn4cnc3c2c1-c1ccc(Cl)cc1 ZINC000000643095 203844573 /nfs/dbraw/zinc/84/45/73/203844573.db2.gz DVFIZYJEONYROL-UHFFFAOYSA-N 0 0 393.859 4.719 50 5 GJBARN O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3cccc(Cl)c3)c2c1 ZINC000001389413 203905076 /nfs/dbraw/zinc/90/50/76/203905076.db2.gz SKGGVZBJNCEQRQ-UHFFFAOYSA-N 0 0 379.803 4.894 50 5 GJBARN Cc1ccc(NC(=O)OCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000001753785 203918556 /nfs/dbraw/zinc/91/85/56/203918556.db2.gz MVQSWYQZCOHZSC-UHFFFAOYSA-N 0 0 385.203 4.838 50 5 GJBARN O=[N+]([O-])c1ccccc1-c1ccc(-c2nn3c(nnc3-c3ccccc3)s2)o1 ZINC000002860737 203970038 /nfs/dbraw/zinc/97/00/38/203970038.db2.gz UURVZGWSURNYSF-UHFFFAOYSA-N 0 0 389.396 4.688 50 5 GJBARN Cc1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000002981957 203979126 /nfs/dbraw/zinc/97/91/26/203979126.db2.gz BZFLKUXKOGUKRJ-UHFFFAOYSA-N 0 0 395.278 4.538 50 5 GJBARN Cc1nc(-c2ccc(C)cc2)c(C2=C(c3ccc([N+](=O)[O-])cc3)COC2=O)s1 ZINC000003369451 204003337 /nfs/dbraw/zinc/00/33/37/204003337.db2.gz HRQKLMUUXFCKDA-UHFFFAOYSA-N 0 0 392.436 4.803 50 5 GJBARN CC(=O)c1ccc(N2CCC(c3cc(-c4cccs4)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000004024799 204023875 /nfs/dbraw/zinc/02/38/75/204023875.db2.gz AEAFGRSEFWGDRW-UHFFFAOYSA-N 0 0 396.472 4.633 50 5 GJBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000004589541 204055465 /nfs/dbraw/zinc/05/54/65/204055465.db2.gz QDSOGASZICKVIW-RZNTYIFUSA-N 0 0 397.601 4.900 50 5 GJBARN CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000004657115 204059788 /nfs/dbraw/zinc/05/97/88/204059788.db2.gz PHMZPIHTRQICIW-UHFFFAOYSA-N 0 0 377.238 4.907 50 5 GJBARN CCc1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000004668201 204062406 /nfs/dbraw/zinc/06/24/06/204062406.db2.gz QAEYBXLSNUZUNV-HZPDHXFCSA-N 0 0 381.476 4.892 50 5 GJBARN CC(C)(C)c1ccc2[nH]c3c(cc(O)c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000005118890 204112990 /nfs/dbraw/zinc/11/29/90/204112990.db2.gz BIKIDSSIZKKQBB-UHFFFAOYSA-N 0 0 385.419 4.944 50 5 GJBARN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000004980380 204100264 /nfs/dbraw/zinc/10/02/64/204100264.db2.gz QJZXQDWYJNMYAR-UHFFFAOYSA-N 0 0 397.862 4.830 50 5 GJBARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccccc3[N+](=O)[O-])c2c1 ZINC000005048618 204107259 /nfs/dbraw/zinc/10/72/59/204107259.db2.gz UJEMXMQPTWTFRW-UHFFFAOYSA-N 0 0 384.395 4.766 50 5 GJBARN O=C1OC(C=Cc2cccc([N+](=O)[O-])c2)=NC1=CNc1cccc2ccccc21 ZINC000006476705 204179819 /nfs/dbraw/zinc/17/98/19/204179819.db2.gz LNLUFJXELICYGX-IZOCETQSSA-N 0 0 385.379 4.670 50 5 GJBARN C[C@H](Nc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-])c1ccccc1 ZINC000008586860 204280464 /nfs/dbraw/zinc/28/04/64/204280464.db2.gz PZNHHDZRVWFHHR-AWEZNQCLSA-N 0 0 387.399 4.880 50 5 GJBARN C[C@H](Sc1nnc(N2CCC(C)CC2)n1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000008938270 204294574 /nfs/dbraw/zinc/29/45/74/204294574.db2.gz XYDWRFMDJIZUNY-AWEZNQCLSA-N 0 0 387.509 4.611 50 5 GJBARN Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1N1CCCC1 ZINC000011325792 204345657 /nfs/dbraw/zinc/34/56/57/204345657.db2.gz OMCHWLIYGYEITA-OAHLLOKOSA-N 0 0 385.489 4.623 50 5 GJBARN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC ZINC000015631559 204568148 /nfs/dbraw/zinc/56/81/48/204568148.db2.gz QLNPJRZJBZCZIQ-UHFFFAOYSA-N 0 0 385.203 4.561 50 5 GJBARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000040142564 205058247 /nfs/dbraw/zinc/05/82/47/205058247.db2.gz SCJDIMJFXZEWMS-DYVFJYSZSA-N 0 0 388.489 4.807 50 5 GJBARN O=C(c1csc([N+](=O)[O-])c1)N(Cc1cccs1)c1ccc(F)cc1F ZINC000058402025 205175606 /nfs/dbraw/zinc/17/56/06/205175606.db2.gz DGBQIMSBSMCQMG-UHFFFAOYSA-N 0 0 380.397 4.843 50 5 GJBARN COc1cc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)cc4oc32)ccc1O ZINC000096114311 206118291 /nfs/dbraw/zinc/11/82/91/206118291.db2.gz RAHSEMRIMVVRKM-UHFFFAOYSA-N 0 0 389.411 4.998 50 5 biogenic GJBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(Br)ccc1Cl ZINC000005174222 211623476 /nfs/dbraw/zinc/62/34/76/211623476.db2.gz IUYOWGYBAPUMDE-UHFFFAOYSA-N 0 0 390.020 4.916 50 5 GJBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000096533412 211342920 /nfs/dbraw/zinc/34/29/20/211342920.db2.gz WTMVUYGCKXATPI-GKUQOKNUSA-N 0 0 379.441 4.581 50 5 GJBARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000096276552 211330033 /nfs/dbraw/zinc/33/00/33/211330033.db2.gz MBPWWLOBHISOCV-INIZCTEOSA-N 0 0 397.862 4.874 50 5 GJBARN Cc1cc(C(F)F)nc2sc3c4nc(NC(C)C)sc4c(=O)[nH]c3c21 ZINC000020607318 210351997 /nfs/dbraw/zinc/35/19/97/210351997.db2.gz JMTUBOFVEZCSRS-UHFFFAOYSA-N 0 0 380.445 4.814 50 5 GJBARN CC1CCN(c2ccc(C(=O)Nc3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 ZINC000005689644 136194920 /nfs/dbraw/zinc/19/49/20/136194920.db2.gz HVHXHXVLDDHBSO-UHFFFAOYSA-N 0 0 396.472 4.693 50 5 GJBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000044017748 570219569 /nfs/dbraw/zinc/21/95/69/570219569.db2.gz OSKVYIKLFGBRKB-LLVKDONJSA-N 0 0 383.326 4.718 50 5 GJBARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000085412045 570226329 /nfs/dbraw/zinc/22/63/29/570226329.db2.gz DYZUKFWUXSLSEX-QGZVFWFLSA-N 0 0 386.477 4.866 50 5 GJBARN C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006060803 570232249 /nfs/dbraw/zinc/23/22/49/570232249.db2.gz BEDOBOYNIAIGHN-VIFPVBQESA-N 0 0 388.729 4.673 50 5 GJBARN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl ZINC000001475785 570241628 /nfs/dbraw/zinc/24/16/28/570241628.db2.gz QCKDCQWEBKJPIA-UHFFFAOYSA-N 0 0 390.770 4.998 50 5 GJBARN CCNc1nc2c3sc4nc(C(F)F)cc(C5CC5)c4c3[nH]c(=O)c2s1 ZINC000020607481 570271312 /nfs/dbraw/zinc/27/13/12/570271312.db2.gz XDMSXZUXLRARII-UHFFFAOYSA-N 0 0 392.456 4.994 50 5 GJBARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000000727024 570303922 /nfs/dbraw/zinc/30/39/22/570303922.db2.gz QRKASHQCXAAOPH-UHFFFAOYSA-N 0 0 390.020 4.916 50 5 GJBARN O=[N+]([O-])c1ccc2c(cnn2CN2CCCC[C@H]2c2nc3ccccc3s2)c1 ZINC000023856001 570333395 /nfs/dbraw/zinc/33/33/95/570333395.db2.gz IHNFJPLIFLPTOL-SFHVURJKSA-N 0 0 393.472 4.739 50 5 GJBARN O=C(OCc1c(Cl)cccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004869447 570351638 /nfs/dbraw/zinc/35/16/38/570351638.db2.gz WKCYZFMPUAURKO-UHFFFAOYSA-N 0 0 395.242 4.859 50 5 GJBARN Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004899362 570358645 /nfs/dbraw/zinc/35/86/45/570358645.db2.gz RUQHYBCOXHZPJP-XNTDXEJSSA-N 0 0 383.407 4.773 50 5 GJBARN CCO[P@@]1(=O)C2=C(OCC2)N(c2ccccc2)N=C1c1ccc([N+](=O)[O-])cc1 ZINC000004897757 570359208 /nfs/dbraw/zinc/35/92/08/570359208.db2.gz CONVGNRTNRHJCN-NDEPHWFRSA-N 0 0 399.343 4.681 50 5 GJBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc(N3CCCC3)c12 ZINC000004311612 570367052 /nfs/dbraw/zinc/36/70/52/570367052.db2.gz JFQKPJUUDGSTRY-UHFFFAOYSA-N 0 0 382.419 4.541 50 5 GJBARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931120 570372717 /nfs/dbraw/zinc/37/27/17/570372717.db2.gz NVWPRPMVXNIYJH-UHFFFAOYSA-N 0 0 396.403 4.671 50 5 GJBARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000830068 570372856 /nfs/dbraw/zinc/37/28/56/570372856.db2.gz HPKIDKYRHQYHCT-UHFFFAOYSA-N 0 0 391.408 4.829 50 5 GJBARN COc1ccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000006342983 570391821 /nfs/dbraw/zinc/39/18/21/570391821.db2.gz WDIHPZGYOBPTNQ-UHFFFAOYSA-N 0 0 385.445 4.516 50 5 GJBARN Cn1c2ccc3ccccc3c2s/c1=N/C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000011852847 570439840 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385.464 4.732 50 5 GJBARN CCOc1ccc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2c1 ZINC000004072626 570929851 /nfs/dbraw/zinc/92/98/51/570929851.db2.gz ZOUBTSUFEQXTRD-UHFFFAOYSA-N 0 0 377.809 4.509 50 5 GJBARN O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004812529 570999200 /nfs/dbraw/zinc/99/92/00/570999200.db2.gz PFLBPQOSBXTLFT-UHFFFAOYSA-N 0 0 377.787 4.614 50 5 GJBARN O=[N+]([O-])c1cc(-c2nc3c(cccc3F)n2C2CC2)ccc1Br ZINC000084445685 571018356 /nfs/dbraw/zinc/01/83/56/571018356.db2.gz XDPOQCMUSUZOCI-UHFFFAOYSA-N 0 0 376.185 4.848 50 5 GJBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@H]2c2cccc(F)c2F)c1 ZINC000037523166 571024512 /nfs/dbraw/zinc/02/45/12/571024512.db2.gz XYUPHGQXEUVQOD-OAQYLSRUSA-N 0 0 383.398 4.670 50 5 GJBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000012773497 571027095 /nfs/dbraw/zinc/02/70/95/571027095.db2.gz HCFMAJZEEQPYNW-UHFFFAOYSA-N 0 0 383.206 4.846 50 5 GJBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000012777477 571031033 /nfs/dbraw/zinc/03/10/33/571031033.db2.gz KZOLKGJQBBRDJS-AWEZNQCLSA-N 0 0 397.406 4.541 50 5 GJBARN Cc1cccc(-c2noc(-c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)c1 ZINC000015833764 210173431 /nfs/dbraw/zinc/17/34/31/210173431.db2.gz HRDGBXRJWRQWNW-HNNXBMFYSA-N 0 0 378.432 4.857 50 5 GJBARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013946182 210098274 /nfs/dbraw/zinc/09/82/74/210098274.db2.gz DKNGUCQDTFUTTE-UHFFFAOYSA-N 0 0 389.367 4.664 50 5 GJBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000013382001 210061293 /nfs/dbraw/zinc/06/12/93/210061293.db2.gz VKUYYBVHGDJQDM-RBBKRZOGSA-N 0 0 389.386 4.976 50 5 GJBARN COc1ccc(-c2noc(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000008586891 209787334 /nfs/dbraw/zinc/78/73/34/209787334.db2.gz YXVQCIDOUAPGCX-UHFFFAOYSA-N 0 0 380.404 4.675 50 5 GJBARN CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1 ZINC000005576382 209603668 /nfs/dbraw/zinc/60/36/68/209603668.db2.gz RPCMIVJSIQEICY-UHFFFAOYSA-N 0 0 393.472 4.509 50 5 GJBARN Cc1ccccc1-c1nc2c(c3nc4ccccc4n31)c(=O)c1ccccc1n2C ZINC000005204148 209579183 /nfs/dbraw/zinc/57/91/83/209579183.db2.gz SVMCSCHWXMKEOQ-UHFFFAOYSA-N 0 0 390.446 4.863 50 5 GJBARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004592631 209500966 /nfs/dbraw/zinc/50/09/66/209500966.db2.gz PEOLEXHIUFGPQW-UHFFFAOYSA-N 0 0 377.312 4.655 50 5 GJBARN CCCCc1ccc(NC=C2N=C(C=Cc3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000004644341 209504558 /nfs/dbraw/zinc/50/45/58/209504558.db2.gz HGKUZANWSBZSGJ-JEDUTTKESA-N 0 0 391.427 4.859 50 5 GJBARN Cc1ccccc1-n1c2ncn(C3CCCC3)c(=O)c2c2nc3ccccc3nc21 ZINC000002255037 209352385 /nfs/dbraw/zinc/35/23/85/209352385.db2.gz OWNPYFCYYSBZEG-UHFFFAOYSA-N 0 0 395.466 4.707 50 5 GJBARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001218741 209316213 /nfs/dbraw/zinc/31/62/13/209316213.db2.gz YZKCTWUHZRSQHH-UHFFFAOYSA-N 0 0 378.228 4.885 50 5 GJBARN O=C(Nc1ccc(Cl)c(C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001188730 209311629 /nfs/dbraw/zinc/31/16/29/209311629.db2.gz HAPYCNKZWMTMEG-UHFFFAOYSA-N 0 0 380.787 4.732 50 5 GJBARN Cc1ccc(C2=N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O2)cc1 ZINC000001167951 209309713 /nfs/dbraw/zinc/30/97/13/209309713.db2.gz GQAACIIJAWRKHW-XDHOZWIPSA-N 0 0 388.379 4.816 50 5 GJBARN O=C(Nc1ccc(Br)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000001143012 209305771 /nfs/dbraw/zinc/30/57/71/209305771.db2.gz HYXSDNXDDWBDHW-UHFFFAOYSA-N 0 0 389.249 4.808 50 5 GJBARN COc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccccc1Cl ZINC000001049353 209294296 /nfs/dbraw/zinc/29/42/96/209294296.db2.gz KNGAWXCVIABWCE-VOTSOKGWSA-N 0 0 398.640 4.938 50 5 GJBARN Cc1c(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cccc1[N+](=O)[O-] ZINC000000997717 209287863 /nfs/dbraw/zinc/28/78/63/209287863.db2.gz ICMIMCSSGIVCBD-UHFFFAOYSA-N 0 0 375.356 4.557 50 5 GJBARN COc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000847939 209272369 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aggregator GJBARN O=C(Nc1ccccc1)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 ZINC000002065145 203924539 /nfs/dbraw/zinc/92/45/39/203924539.db2.gz OUWMFZWUTNCYQB-UHFFFAOYSA-N 0 0 389.414 4.844 50 5 GJBARN CCOC(=O)[C@@H](C)Oc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004054469 204025165 /nfs/dbraw/zinc/02/51/65/204025165.db2.gz SLVAIGMGUOMTNQ-LLVKDONJSA-N 0 0 398.337 4.688 50 5 GJBARN CCCCC(=O)Nc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000004740446 204072559 /nfs/dbraw/zinc/07/25/59/204072559.db2.gz IEZDARVVOLEBNN-UHFFFAOYSA-N 0 0 398.444 4.586 50 5 GJBARN CCN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000004821323 204079736 /nfs/dbraw/zinc/07/97/36/204079736.db2.gz SOXUXDUDHHYUPA-UHFFFAOYSA-N 0 0 389.411 4.514 50 5 GJBARN COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2OC32CCCCC2)cc1 ZINC000004887797 204086606 /nfs/dbraw/zinc/08/66/06/204086606.db2.gz AHVCUSDAPFIPHK-FQEVSTJZSA-N 0 0 393.443 4.807 50 5 GJBARN Cc1c(C(=O)Nc2ccccc2F)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931117 204094218 /nfs/dbraw/zinc/09/42/18/204094218.db2.gz MZQQRTSSWHXAJO-UHFFFAOYSA-N 0 0 396.403 4.671 50 5 GJBARN COc1ccc(-c2ccc(C(=O)Nc3ccccc3SC)o2)c([N+](=O)[O-])c1 ZINC000005034598 204105942 /nfs/dbraw/zinc/10/59/42/204105942.db2.gz XNVCWDWMOMLDLR-UHFFFAOYSA-N 0 0 384.413 4.838 50 5 GJBARN O=c1c2cc(Cl)ccc2oc2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c12 ZINC000005423641 204131402 /nfs/dbraw/zinc/13/14/02/204131402.db2.gz SQKLGAGNMRSPHZ-UHFFFAOYSA-N 0 0 397.770 4.792 50 5 GJBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000006328490 204174391 /nfs/dbraw/zinc/17/43/91/204174391.db2.gz FQIOKMQSTOHOQO-LRYXAPPNSA-N 0 0 397.519 4.530 50 5 GJBARN Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc2c3ccccc3oc(=O)c12 ZINC000006472102 204179500 /nfs/dbraw/zinc/17/95/00/204179500.db2.gz DTPVHXBBZNCLRO-UHFFFAOYSA-N 0 0 388.467 4.805 50 5 GJBARN Cc1ccc(CNc2ccc(-c3nc(-c4ccncc4)no3)cc2[N+](=O)[O-])cc1 ZINC000008586785 204280508 /nfs/dbraw/zinc/28/05/08/204280508.db2.gz QEACLPNJOYYSDJ-UHFFFAOYSA-N 0 0 387.399 4.627 50 5 GJBARN Cc1c(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cccc1[N+](=O)[O-] ZINC000080346166 205385590 /nfs/dbraw/zinc/38/55/90/205385590.db2.gz SBSYVFHODYTKPB-UHFFFAOYSA-N 0 0 395.488 4.537 50 5 GJBARN CCc1cc(Oc2ccc3ccc(=O)oc3c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389497 205920331 /nfs/dbraw/zinc/92/03/31/205920331.db2.gz IPEXRNWLNKKHJS-UHFFFAOYSA-N 0 0 389.367 4.513 50 5 GJBARN O=C(NCc1nc(C(F)(F)F)cs1)c1cc2ccccc2c2cccnc12 ZINC000225409665 206045108 /nfs/dbraw/zinc/04/51/08/206045108.db2.gz NIVSMEDUJWFCAY-UHFFFAOYSA-N 0 0 387.386 4.793 50 5 GJBARN COc1cccc2c1ncc(C)c2NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000225696738 206067756 /nfs/dbraw/zinc/06/77/56/206067756.db2.gz BULYKCRNPJNBAK-ZDUSSCGKSA-N 0 0 397.456 4.579 50 5 GJBARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000032825477 206093411 /nfs/dbraw/zinc/09/34/11/206093411.db2.gz MYGJADKHBYRLRN-QGZVFWFLSA-N 0 0 394.258 4.505 50 5 GJBARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012764070 211689312 /nfs/dbraw/zinc/68/93/12/211689312.db2.gz BIYCTXLXXKNFCL-CZIMKVFHSA-N 0 0 386.835 4.634 50 5 GJBARN CCn1c2ccccc2c2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc21 ZINC000006248896 211574179 /nfs/dbraw/zinc/57/41/79/211574179.db2.gz FPWZYAIPPJEZNX-UHFFFAOYSA-N 0 0 389.411 4.740 50 5 GJBARN O=c1c2ccc3oc4ccccc4c4ccc(c(=O)n1-c1ccc(Cl)cn1)c2c34 ZINC000098087116 211380658 /nfs/dbraw/zinc/38/06/58/211380658.db2.gz GLQMCBITIZXOKP-UHFFFAOYSA-N 0 0 398.805 4.890 50 5 GJBARN Cc1ccnc([C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)n1 ZINC000089701896 211184258 /nfs/dbraw/zinc/18/42/58/211184258.db2.gz UUYGYZXEDFLXMV-AWEZNQCLSA-N 0 0 386.761 4.929 50 5 GJBARN Cc1cccc(-c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)c1 ZINC000020897644 210366872 /nfs/dbraw/zinc/36/68/72/210366872.db2.gz VCOCCJQVELBFFY-UHFFFAOYSA-N 0 0 378.432 4.857 50 5 GJBARN C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2S1 ZINC000006062113 570232241 /nfs/dbraw/zinc/23/22/41/570232241.db2.gz HFOLOZYMIJNQTE-GFCCVEGCSA-N 0 0 392.864 4.545 50 5 GJBARN Cc1ccc(Nc2cc(N3CCC[C@@H](C)C3)c3nonc3c2[N+](=O)[O-])cc1C ZINC000004817229 570236031 /nfs/dbraw/zinc/23/60/31/570236031.db2.gz CPMXZRIFIUEVFD-GFCCVEGCSA-N 0 0 381.436 4.728 50 5 GJBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1CCc1cccs1 ZINC000014013579 570278666 /nfs/dbraw/zinc/27/86/66/570278666.db2.gz RZIQCBPGEKWTHW-UHFFFAOYSA-N 0 0 384.457 4.579 50 5 GJBARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] ZINC000000675489 570289034 /nfs/dbraw/zinc/28/90/34/570289034.db2.gz JKWAXXSBODOGOQ-UHFFFAOYSA-N 0 0 389.367 4.664 50 5 GJBARN Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cccc1[N+](=O)[O-] ZINC000012928525 570298655 /nfs/dbraw/zinc/29/86/55/570298655.db2.gz GOPYPDVVTSFXTN-UHFFFAOYSA-N 0 0 379.441 4.768 50 5 GJBARN CCn1c2c3ccccc3c(C(=O)c3ccco3)n2c2c3ccccc3oc2c1=O ZINC000011667638 570301196 /nfs/dbraw/zinc/30/11/96/570301196.db2.gz QSYGCNIFDFYPNO-UHFFFAOYSA-N 0 0 396.402 4.998 50 5 GJBARN C[C@H](c1cccs1)N(C)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000016273142 570321613 /nfs/dbraw/zinc/32/16/13/570321613.db2.gz MJIPZKPNXCNNOI-OAHLLOKOSA-N 0 0 387.505 4.870 50 5 GJBARN C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000225648291 570329136 /nfs/dbraw/zinc/32/91/36/570329136.db2.gz CDKLSJBAMMNAPO-MRVPVSSYSA-N 0 0 380.738 4.750 50 5 GJBARN CC(C)c1ccc([C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C(C)C)cc1 ZINC000024059357 570344405 /nfs/dbraw/zinc/34/44/05/570344405.db2.gz SDNAECQTCKKATD-SFHVURJKSA-N 0 0 380.448 4.535 50 5 GJBARN COc1cc([N+](=O)[O-])cc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc21 ZINC000004857219 570348120 /nfs/dbraw/zinc/34/81/20/570348120.db2.gz VCQFNNWTUOUTQA-UHFFFAOYSA-N 0 0 380.381 4.500 50 5 GJBARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])o1 ZINC000000830444 570380665 /nfs/dbraw/zinc/38/06/65/570380665.db2.gz HLBXBUBUOGUJGW-UHFFFAOYSA-N 0 0 383.747 4.902 50 5 GJBARN CCc1ccc(CC)c(S(=O)(=O)Nc2cccc3c2cccc3[N+](=O)[O-])c1 ZINC000004980338 570385864 /nfs/dbraw/zinc/38/58/64/570385864.db2.gz QVBHZNQSJPZWFS-UHFFFAOYSA-N 0 0 384.457 4.674 50 5 GJBARN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1)c1ccccc1 ZINC000005063484 570409050 /nfs/dbraw/zinc/40/90/50/570409050.db2.gz QFJRQEMEJCQYBM-UHFFFAOYSA-N 0 0 375.428 4.526 50 5 GJBARN CC[C@H](C)N1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000013002891 570414186 /nfs/dbraw/zinc/41/41/86/570414186.db2.gz HVBVBFGKIGZYOH-KPENOIPVSA-N 0 0 399.428 4.617 50 5 GJBARN O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005173354 570492605 /nfs/dbraw/zinc/49/26/05/570492605.db2.gz VQDOAITWWDZAAK-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 ZINC000005193283 570499317 /nfs/dbraw/zinc/49/93/17/570499317.db2.gz ODSDKXPTHBPPCY-UHFFFAOYSA-N 0 0 389.820 4.633 50 5 GJBARN Cc1cccc(CN(c2cccc(C)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247954 570580348 /nfs/dbraw/zinc/58/03/48/570580348.db2.gz SVNLRPUXHZTTDE-UHFFFAOYSA-N 0 0 396.468 4.607 50 5 GJBARN Cc1ccc(P(=Nc2ccc([N+](=O)[O-])cc2)(N2CCCC2)N2CCCC2)o1 ZINC000005444623 570595373 /nfs/dbraw/zinc/59/53/73/570595373.db2.gz ZUSNNMSBPAHNGB-UHFFFAOYSA-N 0 0 388.408 4.676 50 5 GJBARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000000989924 570742999 /nfs/dbraw/zinc/74/29/99/570742999.db2.gz YROMVRSKSQJAMU-PXAZEXFGSA-N 0 0 385.489 4.661 50 5 GJBARN CC(C)(C)c1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000001062582 570749713 /nfs/dbraw/zinc/74/97/13/570749713.db2.gz KIIXMXGDXSADSN-UHFFFAOYSA-N 0 0 382.445 4.663 50 5 GJBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Br)c1 ZINC000001156502 570757872 /nfs/dbraw/zinc/75/78/72/570757872.db2.gz SQHQDVQVDSHFBJ-FNORWQNLSA-N 0 0 381.613 4.663 50 5 GJBARN Cc1ccc(C(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000001165055 570759539 /nfs/dbraw/zinc/75/95/39/570759539.db2.gz RCULYDAQDUZMBZ-JOCHJYFZSA-N 0 0 389.407 4.993 50 5 GJBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccc(C(F)(F)F)cc1 ZINC000524733155 570768103 /nfs/dbraw/zinc/76/81/03/570768103.db2.gz ZLLNBKFPXRJNOJ-UHFFFAOYSA-N 0 0 399.328 4.965 50 5 GJBARN O=C(Nc1ccccc1-c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000004475981 570794359 /nfs/dbraw/zinc/79/43/59/570794359.db2.gz CCKYFKFUNUPYJR-UHFFFAOYSA-N 0 0 386.363 4.621 50 5 GJBARN O=C(Nc1cc(F)cc(F)c1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004668079 570814285 /nfs/dbraw/zinc/81/42/85/570814285.db2.gz JPSQHMNSWNVKKL-UHFFFAOYSA-N 0 0 397.381 4.780 50 5 GJBARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004677107 570817273 /nfs/dbraw/zinc/81/72/73/570817273.db2.gz GEBCZZCIRNUETD-UHFFFAOYSA-N 0 0 380.231 4.754 50 5 GJBARN O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2ccccc2c1 ZINC000012521521 570828322 /nfs/dbraw/zinc/82/83/22/570828322.db2.gz BUZHBQXHHNADFX-UHFFFAOYSA-N 0 0 394.430 4.852 50 5 GJBARN O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1[N+](=O)[O-] ZINC000004701298 570842364 /nfs/dbraw/zinc/84/23/64/570842364.db2.gz ZBSQSXFBEXOUGX-UHFFFAOYSA-N 0 0 391.408 4.621 50 5 GJBARN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1 ZINC000012549028 570851336 /nfs/dbraw/zinc/85/13/36/570851336.db2.gz QMCLCEPJSZYESY-UHFFFAOYSA-N 0 0 391.471 4.515 50 5 GJBARN CCn1c2ccccc2c(C(=O)Cn2c(C)ncc2[N+](=O)[O-])c1-c1ccccc1 ZINC000065694146 570860717 /nfs/dbraw/zinc/86/07/17/570860717.db2.gz DTRPAUZKQRMFHW-UHFFFAOYSA-N 0 0 388.427 4.624 50 5 GJBARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103591759 570887813 /nfs/dbraw/zinc/88/78/13/570887813.db2.gz TWXOICDLOQFOAY-GOSISDBHSA-N 0 0 384.432 4.602 50 5 GJBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000004032353 570917952 /nfs/dbraw/zinc/91/79/52/570917952.db2.gz XRCWCAYQOHZJBZ-SDNWHVSQSA-N 0 0 384.395 4.790 50 5 GJBARN CCOC(=O)c1ccsc1NC(=O)c1cc2c(ccc3ccccc32)oc1=N ZINC000017080113 570940880 /nfs/dbraw/zinc/94/08/80/570940880.db2.gz UMLZIMOGAGWYFA-UHFFFAOYSA-N 0 0 392.436 4.556 50 5 GJBARN O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000025695295 570950633 /nfs/dbraw/zinc/95/06/33/570950633.db2.gz AMQKGCNSAZZPRK-UHFFFAOYSA-N 0 0 375.595 4.573 50 5 GJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012780375 571034353 /nfs/dbraw/zinc/03/43/53/571034353.db2.gz LQUMKMOBTXVEFE-SXSDINLZSA-N 0 0 379.441 4.581 50 5 GJBARN Cc1c(-c2ccc(C)cc2)nn(Cn2ccc([N+](=O)[O-])n2)c1-c1ccc(C)cc1 ZINC000017079089 210203261 /nfs/dbraw/zinc/20/32/61/210203261.db2.gz DWZVFXJXSBCORI-UHFFFAOYSA-N 0 0 387.443 4.753 50 5 GJBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000013940200 210095890 /nfs/dbraw/zinc/09/58/90/210095890.db2.gz IIPHGJRWGDMKKV-NVNXTCNLSA-N 0 0 390.417 4.642 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000013330017 210056624 /nfs/dbraw/zinc/05/66/24/210056624.db2.gz FRQRYOVYWVLTKA-SECBINFHSA-N 0 0 384.219 4.793 50 5 GJBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000012194886 209917969 /nfs/dbraw/zinc/91/79/69/209917969.db2.gz HJLKVPMAXDNQPE-FXAWDEMLSA-N 0 0 377.425 4.899 50 5 GJBARN COc1ccc(-c2nnc(S[C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000008744582 209798117 /nfs/dbraw/zinc/79/81/17/209798117.db2.gz BUTWGPZCAMYYHL-LLVKDONJSA-N 0 0 387.417 4.515 50 5 GJBARN O=C(NCc1ccccn1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000005700871 209609506 /nfs/dbraw/zinc/60/95/06/209609506.db2.gz OLRBVFHEBAEFEC-UHFFFAOYSA-N 0 0 399.859 4.724 50 5 GJBARN COc1cccc(Nc2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])c1 ZINC000005586909 209605402 /nfs/dbraw/zinc/60/54/02/209605402.db2.gz DIIDKKQKJAMRQC-UHFFFAOYSA-N 0 0 387.395 4.651 50 5 GJBARN O=C1OC(/C=C/c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(Cl)cc1Cl ZINC000004427169 209486306 /nfs/dbraw/zinc/48/63/06/209486306.db2.gz YEJIWKAUHKIWTI-XXILQYNNSA-N 0 0 389.194 4.911 50 5 GJBARN CCOC(=O)[C@H](C)Oc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004054470 209461842 /nfs/dbraw/zinc/46/18/42/209461842.db2.gz SLVAIGMGUOMTNQ-NSHDSACASA-N 0 0 398.337 4.688 50 5 GJBARN O=c1oc2ccc3ccccc3c2cc1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000002689350 209377963 /nfs/dbraw/zinc/37/79/63/209377963.db2.gz AGUOFKJELJRCSC-UHFFFAOYSA-N 0 0 388.803 4.572 50 5 GJBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2C2CCCCC2)c1=O ZINC000002415513 209362846 /nfs/dbraw/zinc/36/28/46/209362846.db2.gz GQROEUIGOOZWPK-UHFFFAOYSA-N 0 0 375.476 4.518 50 5 GJBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O ZINC000002402810 209361177 /nfs/dbraw/zinc/36/11/77/209361177.db2.gz BRPSGZAFIVDTLP-AWEZNQCLSA-N 0 0 383.455 4.563 50 5 GJBARN CCCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccccc1Cl ZINC000002240991 209353140 /nfs/dbraw/zinc/35/31/40/209353140.db2.gz ZBYWIHLBDUDEFS-UHFFFAOYSA-N 0 0 380.831 4.623 50 5 GJBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O ZINC000002253142 209352820 /nfs/dbraw/zinc/35/28/20/209352820.db2.gz IMZPIOFTZPDCHH-OAHLLOKOSA-N 0 0 397.482 4.622 50 5 GJBARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001221368 209316344 /nfs/dbraw/zinc/31/63/44/209316344.db2.gz VPSNLSSXTIAFHS-OAQYLSRUSA-N 0 0 389.411 4.765 50 5 GJBARN Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001187866 209311582 /nfs/dbraw/zinc/31/15/82/209311582.db2.gz MSZKIUONMMZIED-UHFFFAOYSA-N 0 0 387.848 4.901 50 5 GJBARN CC1(C)C(=O)O[C@H](c2cccn2-c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1=O ZINC000001121798 209303737 /nfs/dbraw/zinc/30/37/37/209303737.db2.gz QZDPHUITRFSMAL-GOSISDBHSA-N 0 0 396.443 4.529 50 5 GJBARN Cc1ccccc1NCc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000001136371 209305675 /nfs/dbraw/zinc/30/56/75/209305675.db2.gz BNCBMRSVRRDIOI-UHFFFAOYSA-N 0 0 376.412 4.872 50 5 GJBARN CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000001073192 209296806 /nfs/dbraw/zinc/29/68/06/209296806.db2.gz KVFFFZZGZGOQQJ-BQYQJAHWSA-N 0 0 396.212 4.813 50 5 GJBARN O=[N+]([O-])c1ccc2sc(SCc3cn4cc(Cl)ccc4n3)nc2c1 ZINC000001006276 209288312 /nfs/dbraw/zinc/28/83/12/209288312.db2.gz IDFJSYSKJXGTJA-UHFFFAOYSA-N 0 0 376.850 4.798 50 5 GJBARN O=C(Nc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Cl ZINC000000888019 209276104 /nfs/dbraw/zinc/27/61/04/209276104.db2.gz VHRMRISYMJIWMZ-UHFFFAOYSA-N 0 0 396.786 4.720 50 5 aggregator GJBARN Cc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1C ZINC000000865539 209274959 /nfs/dbraw/zinc/27/49/59/209274959.db2.gz AXWSKRLBWRNAPW-UHFFFAOYSA-N 0 0 388.379 4.805 50 5 GJBARN Cc1ccc(Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)cc1C ZINC000000853069 209273148 /nfs/dbraw/zinc/27/31/48/209273148.db2.gz GBRHVOBMWQULCU-UHFFFAOYSA-N 0 0 388.379 4.805 50 5 GJBARN CC(C)(C)c1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000000851648 209272364 /nfs/dbraw/zinc/27/23/64/209272364.db2.gz PZQGJIUZHKAHPN-UHFFFAOYSA-N 0 0 378.222 4.874 50 5 GJBARN CCOc1ccc([C@@H]2Oc3ccc4ccccc4c3C=C2[N+](=O)[O-])cc1OC ZINC000000718327 209261509 /nfs/dbraw/zinc/26/15/09/209261509.db2.gz WQJGFQNQEQBDRM-QFIPXVFZSA-N 0 0 377.396 4.998 50 5 GJBARN Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)ccc1[N+](=O)[O-] ZINC000000670319 209256744 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4.573 50 5 GJBARN CC1(C)COP(=O)([C@@H](Nc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)OC1 ZINC000004047870 204025195 /nfs/dbraw/zinc/02/51/95/204025195.db2.gz COWABWMXTPAXOA-QGZVFWFLSA-N 0 0 392.348 4.677 50 5 GJBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000004802132 204076401 /nfs/dbraw/zinc/07/64/01/204076401.db2.gz BSLRPNVJVQECFJ-UHFFFAOYSA-N 0 0 389.622 4.881 50 5 GJBARN Cc1ccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])cc1C ZINC000004817267 204078471 /nfs/dbraw/zinc/07/84/71/204078471.db2.gz GCLCRONPJXCBRX-UHFFFAOYSA-N 0 0 381.436 4.872 50 5 GJBARN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3)cn12 ZINC000004930816 204092141 /nfs/dbraw/zinc/09/21/41/204092141.db2.gz YMVXSAPIWNRCIT-UHFFFAOYSA-N 0 0 378.413 4.532 50 5 GJBARN CC1(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])COC(c2ccccc2)OC1 ZINC000004846176 204082035 /nfs/dbraw/zinc/08/20/35/204082035.db2.gz AJINOLUGATWNQO-UHFFFAOYSA-N 0 0 382.338 4.530 50 5 GJBARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000004644280 204060052 /nfs/dbraw/zinc/06/00/52/204060052.db2.gz UVYLKRBZMKNEDX-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN COc1cccc(/C=C/C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 ZINC000006174669 204169971 /nfs/dbraw/zinc/16/99/71/204169971.db2.gz MJSMFMCJBHAVQX-FMIVXFBMSA-N 0 0 386.403 4.711 50 5 GJBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000005478649 204134065 /nfs/dbraw/zinc/13/40/65/204134065.db2.gz BNZQRTZTYRXIDU-UHFFFAOYSA-N 0 0 392.440 4.787 50 5 GJBARN O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006258958 204173117 /nfs/dbraw/zinc/17/31/17/204173117.db2.gz XSWCXZCNKFDLJR-FRWQMALMSA-N 0 0 386.363 4.864 50 5 GJBARN CCCc1ccc(OCc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000006400055 204176611 /nfs/dbraw/zinc/17/66/11/204176611.db2.gz FHINSBDICRBEKJ-UHFFFAOYSA-N 0 0 380.400 4.972 50 5 GJBARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007742800 204249280 /nfs/dbraw/zinc/24/92/80/204249280.db2.gz OBVHOCPMFCHBKU-UHFFFAOYSA-N 0 0 391.811 4.687 50 5 GJBARN O=[N+]([O-])c1ccc(Sc2nnc(Sc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000008431049 204276842 /nfs/dbraw/zinc/27/68/42/204276842.db2.gz CLKZBXRSMYGAHL-UHFFFAOYSA-N 0 0 392.443 4.657 50 5 GJBARN CSc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000011073801 204341527 /nfs/dbraw/zinc/34/15/27/204341527.db2.gz SDJJVOAJBKPTNK-UHFFFAOYSA-N 0 0 393.468 4.728 50 5 GJBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015835471 204580134 /nfs/dbraw/zinc/58/01/34/204580134.db2.gz CPPHHQDBWSERPQ-QFIPXVFZSA-N 0 0 385.423 4.938 50 5 GJBARN Cc1cc(C)cc(-n2ccnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000021478735 204757086 /nfs/dbraw/zinc/75/70/86/204757086.db2.gz VIUWTRQBSJKKOF-UHFFFAOYSA-N 0 0 397.456 4.556 50 5 GJBARN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000023054959 204795318 /nfs/dbraw/zinc/79/53/18/204795318.db2.gz MDQNZPPILBWWNA-XSTIVXOKSA-N 0 0 398.462 4.551 50 5 GJBARN CCOc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036347769 205012298 /nfs/dbraw/zinc/01/22/98/205012298.db2.gz FUXIXUUIGQQZCZ-QHCPKHFHSA-N 0 0 391.471 4.790 50 5 GJBARN O=[N+]([O-])c1cccc(C=C2CCCC3C2=NC(=S)N[C@H]3c2ccccc2)c1 ZINC000057374811 205157263 /nfs/dbraw/zinc/15/72/63/205157263.db2.gz YNEWEISRBQJILB-BAILOTOSSA-N 0 0 377.469 4.635 50 5 GJBARN O=C(O[C@@H]1C=CC23CCCCC12CCCC3)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000045071277 206194822 /nfs/dbraw/zinc/19/48/22/206194822.db2.gz WUORKMIEGGYXQL-QHGAOEGBSA-N 0 0 386.404 4.719 50 5 GJBARN C[C@@H](c1cccs1)N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000032841985 210594360 /nfs/dbraw/zinc/59/43/60/210594360.db2.gz CLJGYFVCAVROGB-HNNXBMFYSA-N 0 0 387.505 4.726 50 5 GJBARN O=[N+]([O-])c1ccc2c(c1)[C@H]1NC(=S)N(c3ccccc3)[C@@]3(CCCCC[C@@H]13)O2 ZINC000169711999 136197554 /nfs/dbraw/zinc/19/75/54/136197554.db2.gz DGWUBGIHXCKJOO-DSKINZAPSA-N 0 0 395.484 4.700 50 5 GJBARN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000000725968 570304112 /nfs/dbraw/zinc/30/41/12/570304112.db2.gz ADQDEMXQPOGVGX-UHFFFAOYSA-N 0 0 377.331 4.794 50 5 GJBARN Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3cccc(C)c3)c2)c1 ZINC000004893216 570357033 /nfs/dbraw/zinc/35/70/33/570357033.db2.gz AAHFJGWWLXUSFI-UHFFFAOYSA-N 0 0 389.411 4.716 50 5 GJBARN C[C@@H]1CCCN(c2cc(Nc3ccccc3Cl)c([N+](=O)[O-])c3nonc32)C1 ZINC000005024755 570399231 /nfs/dbraw/zinc/39/92/31/570399231.db2.gz YKCQCHFXGLUNJZ-LLVKDONJSA-N 0 0 387.827 4.764 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000005048452 570406233 /nfs/dbraw/zinc/40/62/33/570406233.db2.gz NZAIBBXQSAPJQT-UHFFFAOYSA-N 0 0 396.424 4.785 50 5 GJBARN CCCCCCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001771521 570422464 /nfs/dbraw/zinc/42/24/64/570422464.db2.gz UFKHVDPRPWPUNJ-UHFFFAOYSA-N 0 0 384.432 4.893 50 5 GJBARN Cc1ccc(Nc2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])cc1C ZINC000005151381 570428774 /nfs/dbraw/zinc/42/87/74/570428774.db2.gz MUAXVWCJZBQVOQ-UHFFFAOYSA-N 0 0 398.854 4.593 50 5 GJBARN Cc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)ccc1[N+](=O)[O-] ZINC000054011231 570437067 /nfs/dbraw/zinc/43/70/67/570437067.db2.gz ZBGVUHHMNNWXJW-UHFFFAOYSA-N 0 0 378.432 4.524 50 5 GJBARN CC(C)(C)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000002054888 570500875 /nfs/dbraw/zinc/50/08/75/570500875.db2.gz QWAIZKZIMIIKPK-YBEGLDIGSA-N 0 0 384.819 4.890 50 5 GJBARN Cc1ccc2[nH]c(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2c1 ZINC000006649720 570516557 /nfs/dbraw/zinc/51/65/57/570516557.db2.gz BYMDQNWNGPIYQU-LLVKDONJSA-N 0 0 381.417 4.683 50 5 GJBARN Cc1ccc(F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)cc21 ZINC000006720494 570549076 /nfs/dbraw/zinc/54/90/76/570549076.db2.gz PEABUEDWOFYUQX-UHFFFAOYSA-N 0 0 394.833 4.894 50 5 GJBARN COCc1nc2cc(NC(=O)c3cc4ccccc4c4cccnc34)ccc2o1 ZINC000225458090 570576288 /nfs/dbraw/zinc/57/62/88/570576288.db2.gz CMAUHODNLDCLSU-UHFFFAOYSA-N 0 0 383.407 4.928 50 5 GJBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2ccccc21 ZINC000005605009 570666980 /nfs/dbraw/zinc/66/69/80/570666980.db2.gz SOMVTEYTCLILNU-UHFFFAOYSA-N 0 0 384.823 4.635 50 5 GJBARN COc1cc(-c2noc(C(C)(C)C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000034680448 570690370 /nfs/dbraw/zinc/69/03/70/570690370.db2.gz BMOXQXNAGVGQNR-UHFFFAOYSA-N 0 0 383.404 4.530 50 5 GJBARN Cc1ccc(C)c(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)c1 ZINC000006922595 570706944 /nfs/dbraw/zinc/70/69/44/570706944.db2.gz KWIYIFWYRGGOGZ-KDURUIRLSA-N 0 0 394.427 4.684 50 5 GJBARN O=C(Nc1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000001209669 570793844 /nfs/dbraw/zinc/79/38/44/570793844.db2.gz SDPRQDXRNFRBHC-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN Cc1cc(C)c(C)c(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)c1 ZINC000034840241 570802981 /nfs/dbraw/zinc/80/29/81/570802981.db2.gz UEJCDINCHDOGHD-UHFFFAOYSA-N 0 0 377.400 4.960 50 5 GJBARN O=C(NCCC1=CCCCC1)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004660557 570810583 /nfs/dbraw/zinc/81/05/83/570810583.db2.gz LYMGCEORCQTVIQ-UHFFFAOYSA-N 0 0 391.471 4.909 50 5 GJBARN O=[N+]([O-])c1cc(CSCc2ccccc2Br)c2c(c1)COCO2 ZINC000032794297 570814956 /nfs/dbraw/zinc/81/49/56/570814956.db2.gz KJWWSTHWPKZXBW-UHFFFAOYSA-N 0 0 396.262 4.657 50 5 GJBARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004072649 570929866 /nfs/dbraw/zinc/92/98/66/570929866.db2.gz QVEHXFDYLFQRHP-UHFFFAOYSA-N 0 0 377.784 4.763 50 5 GJBARN Cc1c(C(=O)NCc2ccc(COCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000032925078 570935277 /nfs/dbraw/zinc/93/52/77/570935277.db2.gz GDEUYWGHSPEQQX-UHFFFAOYSA-N 0 0 390.439 4.550 50 5 GJBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1csc(-c2cccs2)n1 ZINC000012810633 210013327 /nfs/dbraw/zinc/01/33/27/210013327.db2.gz QOOBDHUEGQGEED-UHFFFAOYSA-N 0 0 393.877 4.705 50 5 GJBARN O=C(CCCSc1nc2ccccc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000007787252 209747090 /nfs/dbraw/zinc/74/70/90/209747090.db2.gz LGHUQWNQMAGHDP-UHFFFAOYSA-N 0 0 391.449 4.855 50 5 GJBARN COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)n2C(C)C)cc1 ZINC000006257269 209639340 /nfs/dbraw/zinc/63/93/40/209639340.db2.gz POSXDAMQEFPSOK-UHFFFAOYSA-N 0 0 384.461 4.735 50 5 GJBARN CC[C@H](C)c1ccc(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cn3)o2)cc1 ZINC000005610941 209605038 /nfs/dbraw/zinc/60/50/38/209605038.db2.gz DOFYJKBSZQGAMJ-AWEZNQCLSA-N 0 0 395.415 4.928 50 5 GJBARN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000004783841 209524597 /nfs/dbraw/zinc/52/45/97/209524597.db2.gz SSLNCXMSSNVJRE-UHFFFAOYSA-N 0 0 393.346 4.989 50 5 GJBARN Cc1ccc(C2=N/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004644389 209503823 /nfs/dbraw/zinc/50/38/23/209503823.db2.gz HCWCJEJXESRUCG-VGOFMYFVSA-N 0 0 377.183 4.555 50 5 GJBARN O=C(CCSc1cc(Cl)ccc1Cl)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000004336006 209480271 /nfs/dbraw/zinc/48/02/71/209480271.db2.gz WYGPQAFBIKOMNK-UHFFFAOYSA-N 0 0 397.283 4.973 50 5 GJBARN CCCCCOc1ccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000002949970 209399926 /nfs/dbraw/zinc/39/99/26/209399926.db2.gz LAMFNRZMKXUYDE-FQEVSTJZSA-N 0 0 386.473 4.942 50 5 GJBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc2ccccc2[nH]1 ZINC000002675155 209376315 /nfs/dbraw/zinc/37/63/15/209376315.db2.gz ZIISHDXIYUOENN-UHFFFAOYSA-N 0 0 384.295 4.549 50 5 GJBARN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 ZINC000002311535 209356113 /nfs/dbraw/zinc/35/61/13/209356113.db2.gz ZFZMBUWPMRUQRX-UHFFFAOYSA-N 0 0 378.413 4.728 50 5 GJBARN CCCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccccc3nc21 ZINC000001852304 209341625 /nfs/dbraw/zinc/34/16/25/209341625.db2.gz QBDDDXZBGWMWAL-UHFFFAOYSA-N 0 0 389.415 4.545 50 5 GJBARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000001208028 209314357 /nfs/dbraw/zinc/31/43/57/209314357.db2.gz XONGPDBAXDZRAO-UHFFFAOYSA-N 0 0 389.411 4.716 50 5 GJBARN O=C(Nc1ccc(Cl)c(C(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000001188627 209312109 /nfs/dbraw/zinc/31/21/09/209312109.db2.gz KZJYZLCVIPEQIN-UHFFFAOYSA-N 0 0 380.787 4.732 50 5 GJBARN O=c1oc2cc(OCc3cc4c(cc3Cl)OCO4)ccc2c2ccccc12 ZINC000001165290 209308992 /nfs/dbraw/zinc/30/89/92/209308992.db2.gz JROIQVHRWQVVJL-UHFFFAOYSA-N 0 0 380.783 4.907 50 5 GJBARN Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000001165056 209308149 /nfs/dbraw/zinc/30/81/49/209308149.db2.gz RCULYDAQDUZMBZ-QFIPXVFZSA-N 0 0 389.407 4.993 50 5 GJBARN CC(C)CSc1cc([N+](=O)[O-])cc2c1c(C1OCCO1)nn2-c1ccccc1 ZINC000001070678 209296633 /nfs/dbraw/zinc/29/66/33/209296633.db2.gz UMUNTHXWAXUQCB-UHFFFAOYSA-N 0 0 399.472 4.727 50 5 GJBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001042463 209292772 /nfs/dbraw/zinc/29/27/72/209292772.db2.gz MMKSJYHVVFBNJJ-UHFFFAOYSA-N 0 0 392.255 4.814 50 5 GJBARN O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000001042517 209292563 /nfs/dbraw/zinc/29/25/63/209292563.db2.gz JFICPLGNLTZXBW-UHFFFAOYSA-N 0 0 379.212 4.852 50 5 GJBARN COc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccccc2O3)cc1 ZINC000000969354 209285307 /nfs/dbraw/zinc/28/53/07/209285307.db2.gz GHDCZHVQIGWOMS-UHFFFAOYSA-N 0 0 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CCN(C(=S)NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc2ccccc21 ZINC000005691353 204147253 /nfs/dbraw/zinc/14/72/53/204147253.db2.gz RVXWQTLFHJMXAP-UHFFFAOYSA-N 0 0 393.468 4.598 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1cc(C)c2ccccc2n1 ZINC000006788604 204205917 /nfs/dbraw/zinc/20/59/17/204205917.db2.gz FEQGQTGNOZQKBS-ZDUSSCGKSA-N 0 0 397.456 4.579 50 5 GJBARN Cc1cc2oc(NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)c2c(=O)o1 ZINC000006755862 204200732 /nfs/dbraw/zinc/20/07/32/204200732.db2.gz NSPVLSUCLFQHBY-UHFFFAOYSA-N 0 0 376.368 4.882 50 5 GJBARN COc1ccccc1CNc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000008586905 204280184 /nfs/dbraw/zinc/28/01/84/204280184.db2.gz SGJWKUJHZZWSFX-UHFFFAOYSA-N 0 0 392.371 4.526 50 5 GJBARN CN(Cc1ccccc1)c1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000008586901 204280440 /nfs/dbraw/zinc/28/04/40/204280440.db2.gz PMOAJTZRVWOGEO-UHFFFAOYSA-N 0 0 376.372 4.541 50 5 GJBARN Cc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1N1CCCC1 ZINC000011325793 204345048 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Cc1ccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 ZINC000004550646 570863748 /nfs/dbraw/zinc/86/37/48/570863748.db2.gz SUQVQLLDPPBEHV-NTCAYCPXSA-N 0 0 383.407 4.773 50 5 GJBARN NC(=O)c1ccc(-c2cc(-c3ccco3)nc(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000216430123 570888705 /nfs/dbraw/zinc/88/87/05/570888705.db2.gz GTTDVYCKFQYVNN-UHFFFAOYSA-N 0 0 385.379 4.683 50 5 in-vitro GJBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000017080466 570940827 /nfs/dbraw/zinc/94/08/27/570940827.db2.gz JCKFRXWOKLNNFI-UHFFFAOYSA-N 0 0 393.786 4.879 50 5 GJBARN CSc1nnc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)s1 ZINC000002148629 570967645 /nfs/dbraw/zinc/96/76/45/570967645.db2.gz GQGVNVSPNMAHJJ-UHFFFAOYSA-N 0 0 382.517 4.584 50 5 GJBARN COc1cc(OC)c(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000002156190 570972461 /nfs/dbraw/zinc/97/24/61/570972461.db2.gz GBGIHZQJJXMXII-UHFFFAOYSA-N 0 0 386.191 4.563 50 5 GJBARN Cc1ccc(OCc2ccc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000025836355 570975030 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398.466 4.763 50 5 GJBARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012533657 209968691 /nfs/dbraw/zinc/96/86/91/209968691.db2.gz KFWRVFANDZIBPO-UHFFFAOYSA-N 0 0 397.243 4.509 50 5 GJBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000005533163 209600628 /nfs/dbraw/zinc/60/06/28/209600628.db2.gz JVBJAFMEFAWYDV-UHFFFAOYSA-N 0 0 386.367 4.564 50 5 GJBARN Cc1sc2[nH]c(C(Cl)=Cc3cc([N+](=O)[O-])ccc3Cl)nc(=O)c2c1C ZINC000005264892 209584467 /nfs/dbraw/zinc/58/44/67/209584467.db2.gz KMKZCUWLCXDRMW-SDQBBNPISA-N 0 0 396.255 4.900 50 5 GJBARN CCCCCOc1ccc(Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])cc1 ZINC000004684428 209510705 /nfs/dbraw/zinc/51/07/05/209510705.db2.gz PRFVWORDXVSDQZ-UHFFFAOYSA-N 0 0 397.431 4.561 50 5 GJBARN CCN1C(=O)c2cccc3c2c1ccc3NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000004661883 209506911 /nfs/dbraw/zinc/50/69/11/209506911.db2.gz QEQHXEMKAVWCHA-UHFFFAOYSA-N 0 0 395.802 4.634 50 5 GJBARN Cc1cccc(NC(=O)c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000004668170 209506811 /nfs/dbraw/zinc/50/68/11/209506811.db2.gz GNTFHAORBUKXNR-UHFFFAOYSA-N 0 0 375.428 4.810 50 5 GJBARN O=c1c2ccccc2nc(SCc2ccccc2[N+](=O)[O-])n1-c1ccccc1 ZINC000002360862 209358258 /nfs/dbraw/zinc/35/82/58/209358258.db2.gz VMHTWGWMFJQBSU-UHFFFAOYSA-N 0 0 389.436 4.586 50 5 GJBARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000001509882 209331169 /nfs/dbraw/zinc/33/11/69/209331169.db2.gz BENLAIPDFBOYEP-UHFFFAOYSA-N 0 0 380.787 4.732 50 5 GJBARN COc1cc2ccccc2cc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001508991 209330319 /nfs/dbraw/zinc/33/03/19/209330319.db2.gz RABUNYMERNGYNH-UHFFFAOYSA-N 0 0 379.397 4.619 50 5 GJBARN CCOc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 ZINC000001209611 209315385 /nfs/dbraw/zinc/31/53/85/209315385.db2.gz NAVRKNHWGPCBNN-UHFFFAOYSA-N 0 0 382.372 4.514 50 5 GJBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc21 ZINC000001175346 209309618 /nfs/dbraw/zinc/30/96/18/209309618.db2.gz IPJHPXIJXFQTRL-UHFFFAOYSA-N 0 0 385.832 4.528 50 5 GJBARN Cc1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2Nc2ccccc2)cc1 ZINC000000999304 209287161 /nfs/dbraw/zinc/28/71/61/209287161.db2.gz IJKQZZIHKOGIEZ-RCCKNPSSSA-N 0 0 398.422 4.560 50 5 GJBARN NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000000651854 209255869 /nfs/dbraw/zinc/25/58/69/209255869.db2.gz LDAUIVGPULCJBR-QOMWVZHYSA-N 0 0 398.340 4.816 50 5 GJBARN CCOC(=O)c1sc2sc(C(=O)c3cccc([N+](=O)[O-])c3)c(C)c2c1C ZINC000001037836 203875700 /nfs/dbraw/zinc/87/57/00/203875700.db2.gz UMYLUVDASPIZSO-UHFFFAOYSA-N 0 0 389.454 4.896 50 5 GJBARN CCCCCn1c2ncn(C3CCCC3)c(=O)c2c2nc3ccccc3nc21 ZINC000002256591 203933720 /nfs/dbraw/zinc/93/37/20/203933720.db2.gz LTEVDIIDCSKBEN-UHFFFAOYSA-N 0 0 375.476 4.600 50 5 GJBARN Cc1ccc(N[C@@H](C[N+](=O)[O-])c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000003282584 203994751 /nfs/dbraw/zinc/99/47/51/203994751.db2.gz PQHXDCHDEDTJNC-QFIPXVFZSA-N 0 0 399.454 4.673 50 5 GJBARN Cc1ccc(NC(=O)c2cccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 ZINC000004320311 204038403 /nfs/dbraw/zinc/03/84/03/204038403.db2.gz XSOAQBLPGSIXNR-UHFFFAOYSA-N 0 0 392.371 4.807 50 5 GJBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1OC(F)F ZINC000003573454 204014668 /nfs/dbraw/zinc/01/46/68/204014668.db2.gz HGEXDMNSRBWSHH-UHFFFAOYSA-N 0 0 396.345 4.905 50 5 GJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000004818863 204078675 /nfs/dbraw/zinc/07/86/75/204078675.db2.gz RTYSIZOOYGNEIN-UHFFFAOYSA-N 0 0 386.367 4.564 50 5 GJBARN Cc1ccccc1NS(=O)(=O)c1ccc2oc3cc([N+](=O)[O-])ccc3c2c1 ZINC000004606545 204057362 /nfs/dbraw/zinc/05/73/62/204057362.db2.gz JODSCXMABJZSPU-UHFFFAOYSA-N 0 0 382.397 4.603 50 5 GJBARN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000004687574 204063994 /nfs/dbraw/zinc/06/39/94/204063994.db2.gz IJWKYCNHEWUUQZ-LRYXAPPNSA-N 0 0 397.519 4.530 50 5 GJBARN Cn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3cccs3)nc21 ZINC000005246727 204122200 /nfs/dbraw/zinc/12/22/00/204122200.db2.gz HJDKSNQHQQXDMN-UHFFFAOYSA-N 0 0 382.448 4.616 50 5 GJBARN CCc1nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c(=O)n1[C@H](C)CC ZINC000005021728 204103467 /nfs/dbraw/zinc/10/34/67/204103467.db2.gz UDMQGDVWNBGVNN-OAHLLOKOSA-N 0 0 397.482 4.817 50 5 GJBARN CC(C)Oc1ccc(C(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000006049766 204162522 /nfs/dbraw/zinc/16/25/22/204162522.db2.gz XMUHBSJKQUHUNE-UHFFFAOYSA-N 0 0 397.456 4.682 50 5 GJBARN CCc1ccc([C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cccs2)cc1 ZINC000005406077 204130858 /nfs/dbraw/zinc/13/08/58/204130858.db2.gz PJCNEPCMNFWWIY-FQEVSTJZSA-N 0 0 396.468 4.747 50 5 GJBARN CCCCCn1cc(OC(=O)CC)c2c3nc4ccccc4n3c(CC)nc21 ZINC000005485635 204135905 /nfs/dbraw/zinc/13/59/05/204135905.db2.gz WCHXUCOWGXLXNX-UHFFFAOYSA-N 0 0 378.476 4.905 50 5 GJBARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SCC(=O)N2 ZINC000009360252 204309104 /nfs/dbraw/zinc/30/91/04/204309104.db2.gz OUVAKNXTEUULMC-LJQANCHMSA-N 0 0 394.456 4.822 50 5 GJBARN Cc1c(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)nnn1-c1ccc(C)c(C)c1 ZINC000012415595 204406202 /nfs/dbraw/zinc/40/62/02/204406202.db2.gz DRULYBOIXKTTBO-UHFFFAOYSA-N 0 0 391.456 4.891 50 5 GJBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCC(c1ccccc1)c1ccccc1 ZINC000033333725 211945478 /nfs/dbraw/zinc/94/54/78/211945478.db2.gz HPVIKVWXRPJVKK-SSZFMOIBSA-N 0 0 386.451 4.946 50 5 GJBARN Cc1cc2c(c3oc(=O)c4ccccc4c13)CN(Cc1ccc(F)cc1)CO2 ZINC000055393860 205149200 /nfs/dbraw/zinc/14/92/00/205149200.db2.gz KTODGKGUFSNULC-UHFFFAOYSA-N 0 0 375.399 4.746 50 5 GJBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2C2CCCCC2)c1=O ZINC000050571165 205131375 /nfs/dbraw/zinc/13/13/75/205131375.db2.gz ACMWUQQCJBBTNT-CQSZACIVSA-N 0 0 375.476 4.771 50 5 GJBARN O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000102415215 205629953 /nfs/dbraw/zinc/62/99/53/205629953.db2.gz HKIYNAFPKNXQMY-OQLLNIDSSA-N 0 0 379.284 4.574 50 5 GJBARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C ZINC000001119815 205706503 /nfs/dbraw/zinc/70/65/03/205706503.db2.gz NHWVMYCUSMHGHZ-QFIPXVFZSA-N 0 0 389.407 4.993 50 5 GJBARN O=C1CCc2cc(Oc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])ccc2N1 ZINC000170638035 205858201 /nfs/dbraw/zinc/85/82/01/205858201.db2.gz GHKDOCVARLVUFC-UHFFFAOYSA-N 0 0 386.713 4.944 50 5 GJBARN O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC(=S)N1c1ccccc1 ZINC000026688009 206003210 /nfs/dbraw/zinc/00/32/10/206003210.db2.gz XHKXLASSDKZLTB-SFQUDFHCSA-N 0 0 391.408 4.528 50 5 GJBARN Cc1nc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2s1 ZINC000011248774 211673688 /nfs/dbraw/zinc/67/36/88/211673688.db2.gz JBDHSYLLTDCLJO-UHFFFAOYSA-N 0 0 399.475 4.712 50 5 GJBARN COc1cccc(/C=C\C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 ZINC000096464144 211343202 /nfs/dbraw/zinc/34/32/02/211343202.db2.gz MJSMFMCJBHAVQX-XFXZXTDPSA-N 0 0 386.403 4.711 50 5 GJBARN Cc1ccccc1C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCOCC1 ZINC000089689218 211183863 /nfs/dbraw/zinc/18/38/63/211183863.db2.gz ZOKOFUKNOMQEOL-UHFFFAOYSA-N 0 0 377.444 4.612 50 5 GJBARN Cc1ccccc1-c1noc(-c2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)n1 ZINC000020897610 210366206 /nfs/dbraw/zinc/36/62/06/210366206.db2.gz ZLVCKELNBVFUJG-HNNXBMFYSA-N 0 0 378.432 4.999 50 5 GJBARN Cc1ccc(Nc2cc(N3CCC[C@H](C)C3)c3nonc3c2[N+](=O)[O-])c(C)c1 ZINC000004817256 570235990 /nfs/dbraw/zinc/23/59/90/570235990.db2.gz TZLOPUIMLCJIIR-ZDUSSCGKSA-N 0 0 381.436 4.728 50 5 GJBARN Cc1ccccc1-c1noc(-c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000015833755 570271117 /nfs/dbraw/zinc/27/11/17/570271117.db2.gz HFKIQBWXTVMEQP-AWEZNQCLSA-N 0 0 378.432 4.857 50 5 GJBARN Cc1cccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000012876489 570275138 /nfs/dbraw/zinc/27/51/38/570275138.db2.gz MMGJXPDGSMIIDW-UHFFFAOYSA-N 0 0 390.399 4.800 50 5 GJBARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000004836958 570306712 /nfs/dbraw/zinc/30/67/12/570306712.db2.gz VTCJZSLVFCMTOQ-UHFFFAOYSA-N 0 0 394.774 4.704 50 5 GJBARN CSc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000010898868 570351892 /nfs/dbraw/zinc/35/18/92/570351892.db2.gz XQDYHOIXRRMURA-UHFFFAOYSA-N 0 0 399.516 4.579 50 5 GJBARN CCC(=O)c1ccc(OC(=O)CCSc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005013371 570395857 /nfs/dbraw/zinc/39/58/57/570395857.db2.gz OVNSVABCPUEJKB-UHFFFAOYSA-N 0 0 393.848 4.929 50 5 GJBARN COc1ccccc1-n1c2nc3ccccc3nc2nc1-c1cccc([N+](=O)[O-])c1 ZINC000005021705 570398108 /nfs/dbraw/zinc/39/81/08/570398108.db2.gz CUQZRNJOMIXUTL-UHFFFAOYSA-N 0 0 397.394 4.553 50 5 GJBARN O=C1C[C@H](c2ccco2)Sc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 ZINC000005053384 570406573 /nfs/dbraw/zinc/40/65/73/570406573.db2.gz ZLFDGQRVHCDECZ-LJQANCHMSA-N 0 0 380.425 4.958 50 5 GJBARN CC(C)(C)c1ccc(C2=N/C(=C/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000033738567 570406949 /nfs/dbraw/zinc/40/69/49/570406949.db2.gz XQPVUXIZTMQQFC-WYRDDRIESA-N 0 0 376.412 4.793 50 5 GJBARN COc1cccc(NC(=O)c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000005064997 570409030 /nfs/dbraw/zinc/40/90/30/570409030.db2.gz UUQYYKGKZKBOID-UHFFFAOYSA-N 0 0 391.427 4.510 50 5 GJBARN CCNc1cc(Nc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c2nonc21 ZINC000005092662 570415553 /nfs/dbraw/zinc/41/55/53/570415553.db2.gz AIZVYRGLODPKTJ-UHFFFAOYSA-N 0 0 375.388 4.973 50 5 GJBARN CCN(CC)c1cc(Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])c2nonc21 ZINC000005100885 570417468 /nfs/dbraw/zinc/41/74/68/570417468.db2.gz PGLLDUGDQKLZNW-UHFFFAOYSA-N 0 0 375.816 4.683 50 5 GJBARN O=C(Nc1nccs1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000006646413 570515050 /nfs/dbraw/zinc/51/50/50/570515050.db2.gz NWMLRGYZRLPYMG-UHFFFAOYSA-N 0 0 375.406 4.594 50 5 GJBARN Cc1ccc([C@H](C)N(c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247677 570581650 /nfs/dbraw/zinc/58/16/50/570581650.db2.gz QRRKRXONPJCTNE-KRWDZBQOSA-N 0 0 396.468 4.860 50 5 GJBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1nc(C(F)(F)F)c2c1CCCC2 ZINC000012396600 570646079 /nfs/dbraw/zinc/64/60/79/570646079.db2.gz IOYOBQDVPLTLCK-UHFFFAOYSA-N 0 0 379.260 4.697 50 5 GJBARN COc1ccc(-c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3o2)cc1 ZINC000000872561 570685570 /nfs/dbraw/zinc/68/55/70/570685570.db2.gz NBKYUMSCQVRQBR-UHFFFAOYSA-N 0 0 389.367 4.664 50 5 GJBARN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)c2ccccc2)cc1 ZINC000032642590 570720472 /nfs/dbraw/zinc/72/04/72/570720472.db2.gz PSSGIBGSCLEIBV-UHFFFAOYSA-N 0 0 378.384 4.672 50 5 GJBARN O=C(COc1ccc(Cl)cc1)Oc1ccc2c(c1)oc(=O)c1ccccc12 ZINC000000937100 570727771 /nfs/dbraw/zinc/72/77/71/570727771.db2.gz DZDAQLGAGCABQX-UHFFFAOYSA-N 0 0 380.783 4.584 50 5 GJBARN Nc1ccccc1-c1nc2cc3ccccc3cc2n(Cc2ccccc2)c1=O ZINC000006996174 570732925 /nfs/dbraw/zinc/73/29/25/570732925.db2.gz NUJLLTLIFJEPNG-UHFFFAOYSA-N 0 0 377.447 4.847 50 5 GJBARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000000990258 570742061 /nfs/dbraw/zinc/74/20/61/570742061.db2.gz CKYBOPWQGGJPQG-UHFFFAOYSA-N 0 0 390.020 4.916 50 5 GJBARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001064085 570749407 /nfs/dbraw/zinc/74/94/07/570749407.db2.gz QUJSOZPFHXQTHW-UHFFFAOYSA-N 0 0 377.400 4.707 50 5 GJBARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc(C)c1CC ZINC000001111879 570753779 /nfs/dbraw/zinc/75/37/79/570753779.db2.gz TURJGPRWQQAGHM-UHFFFAOYSA-N 0 0 396.852 4.610 50 5 GJBARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000001158719 570757685 /nfs/dbraw/zinc/75/76/85/570757685.db2.gz LCFKMOXJHXSNGZ-UHFFFAOYSA-N 0 0 388.729 4.918 50 5 GJBARN Cc1ccc(S(=O)(=O)NC2CCCCCCCCCCC2)cc1[N+](=O)[O-] ZINC000005684555 570806634 /nfs/dbraw/zinc/80/66/34/570806634.db2.gz SCLUXNFWWJXEGY-UHFFFAOYSA-N 0 0 382.526 4.855 50 5 GJBARN COc1ccc(Br)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000004499453 570808829 /nfs/dbraw/zinc/80/88/29/570808829.db2.gz UHAREORRPCHZGP-UHFFFAOYSA-N 0 0 399.628 4.580 50 5 GJBARN Cc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000004659462 570809815 /nfs/dbraw/zinc/80/98/15/570809815.db2.gz OJHCCZWRCSIZOH-WYMLVPIESA-N 0 0 383.407 4.773 50 5 GJBARN C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000239203161 570823472 /nfs/dbraw/zinc/82/34/72/570823472.db2.gz RVJZQWYATNDBQG-UGCQDJOBSA-N 0 0 383.492 4.870 50 5 GJBARN Cc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] ZINC000004580330 570909447 /nfs/dbraw/zinc/90/94/47/570909447.db2.gz ODWFIGRFNGMYHE-UHFFFAOYSA-N 0 0 375.380 4.610 50 5 GJBARN Cc1ccc(OCc2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)c(C)c1 ZINC000033326945 570980778 /nfs/dbraw/zinc/98/07/78/570980778.db2.gz SRIJMNPZZWFGOI-UHFFFAOYSA-N 0 0 389.484 4.700 50 5 GJBARN C[C@@H](NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000084656307 571029801 /nfs/dbraw/zinc/02/98/01/571029801.db2.gz GHBZEVOTFGWURQ-CXAGYDPISA-N 0 0 396.472 4.812 50 5 GJBARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000013704338 210081826 /nfs/dbraw/zinc/08/18/26/210081826.db2.gz KIALCSMRIHRFPL-UHFFFAOYSA-N 0 0 384.395 4.700 50 5 in-vivo GJBARN CN(Cc1nc(-c2ccccc2Cl)no1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000012996170 210043713 /nfs/dbraw/zinc/04/37/13/210043713.db2.gz NSVMZYJQYYKOKD-UHFFFAOYSA-N 0 0 393.230 4.584 50 5 GJBARN CN(Cc1ccc(Cl)nc1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000012727246 209996917 /nfs/dbraw/zinc/99/69/17/209996917.db2.gz LKBQDRKAYWGQPY-UHFFFAOYSA-N 0 0 381.819 4.511 50 5 GJBARN Cc1ccn2c(c1)nc(-c1cccs1)c2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004791124 209526384 /nfs/dbraw/zinc/52/63/84/209526384.db2.gz PCUZEXWUJBFWAG-UHFFFAOYSA-N 0 0 378.413 4.532 50 5 GJBARN O=C(Nc1ccccc1Br)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000004691095 209511259 /nfs/dbraw/zinc/51/12/59/209511259.db2.gz SZPIGJWSRWGUHA-UHFFFAOYSA-N 0 0 387.189 4.870 50 5 GJBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000004571338 209498461 /nfs/dbraw/zinc/49/84/61/209498461.db2.gz KMYORFJVNHKUBJ-GLEZIHRCSA-N 0 0 377.853 4.863 50 5 GJBARN CC(=O)Nc1cccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 ZINC000002872604 209394526 /nfs/dbraw/zinc/39/45/26/209394526.db2.gz ZKALKDWDDZJJMF-UHFFFAOYSA-N 0 0 389.820 4.674 50 5 GJBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cc(C)ccc2C)c1=O ZINC000002425282 209364375 /nfs/dbraw/zinc/36/43/75/209364375.db2.gz HKIYYEMIEDSBEZ-UHFFFAOYSA-N 0 0 397.482 4.619 50 5 GJBARN O=[N+]([O-])c1ccc(COc2ccc(C3SCCS3)cc2[N+](=O)[O-])cc1 ZINC000002142022 209347591 /nfs/dbraw/zinc/34/75/91/209347591.db2.gz APQUDKXXFNXYBL-UHFFFAOYSA-N 0 0 378.431 4.561 50 5 GJBARN Cc1cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(C)C)cc1Cl ZINC000002063546 209344886 /nfs/dbraw/zinc/34/48/86/209344886.db2.gz FIAGFMDGHYJLDV-UHFFFAOYSA-N 0 0 378.768 4.807 50 5 GJBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000010254477 209323837 /nfs/dbraw/zinc/32/38/37/209323837.db2.gz MAJGFENXHJWCON-UHFFFAOYSA-N 0 0 387.823 4.501 50 5 GJBARN Cc1cc(C(=O)OCc2ccc(-c3cnc4ccccc4n3)cc2)ccc1[N+](=O)[O-] ZINC000001443281 209328105 /nfs/dbraw/zinc/32/81/05/209328105.db2.gz QHDGMFKZPGVAIT-UHFFFAOYSA-N 0 0 399.406 4.870 50 5 GJBARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001192890 209311530 /nfs/dbraw/zinc/31/15/30/209311530.db2.gz SXKYFPNTDIDNLZ-WJDWOHSUSA-N 0 0 394.770 4.853 50 5 GJBARN CC(=O)Nc1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001163638 209309341 /nfs/dbraw/zinc/30/93/41/209309341.db2.gz TVMROLPTILWAAD-UHFFFAOYSA-N 0 0 392.367 4.565 50 5 GJBARN Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000001150729 209306807 /nfs/dbraw/zinc/30/68/07/209306807.db2.gz LIQVTSNLRWEDIJ-UHFFFAOYSA-N 0 0 389.411 4.716 50 5 GJBARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001125146 209303793 /nfs/dbraw/zinc/30/37/93/209303793.db2.gz OECZZWFPXYGKIQ-UHFFFAOYSA-N 0 0 391.836 4.654 50 5 GJBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000001060324 209295899 /nfs/dbraw/zinc/29/58/99/209295899.db2.gz YZSKOQJPQCYWFK-UHFFFAOYSA-N 0 0 390.770 4.998 50 5 GJBARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000805617 209268258 /nfs/dbraw/zinc/26/82/58/209268258.db2.gz QFCQNZBTGMXUEV-UHFFFAOYSA-N 0 0 388.383 4.667 50 5 GJBARN CCC(=O)C[C@@H](Sc1cc(=O)oc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000753755 209264337 /nfs/dbraw/zinc/26/43/37/209264337.db2.gz LCIJRKSJIDFQDC-GOSISDBHSA-N 0 0 383.425 4.904 50 5 GJBARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000671391 209257624 /nfs/dbraw/zinc/25/76/24/209257624.db2.gz BFZCEIFBAXNAKH-UHFFFAOYSA-N 0 0 395.774 4.902 50 5 GJBARN CCOC(=O)[C@@H](C)Oc1cccc2c1ccc1c(-c3ccccc3)cc(=O)oc21 ZINC000000634524 209253212 /nfs/dbraw/zinc/25/32/12/209253212.db2.gz RYGOROHIBADPDE-OAHLLOKOSA-N 0 0 388.419 4.944 50 5 GJBARN CCCCCCn1c2ncn([C@H](C)CC)c(=O)c2c2nc3ccccc3nc21 ZINC000002419259 203942802 /nfs/dbraw/zinc/94/28/02/203942802.db2.gz DMYKBHZERKIKAI-OAHLLOKOSA-N 0 0 377.492 4.846 50 5 GJBARN CC(C)Cn1c2ccccc2nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003498586 204010171 /nfs/dbraw/zinc/01/01/71/204010171.db2.gz AXFHIIIWXZSBGJ-UHFFFAOYSA-N 0 0 399.472 4.759 50 5 GJBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1c2ccccc2Sc2ccccc21 ZINC000004793758 204077223 /nfs/dbraw/zinc/07/72/23/204077223.db2.gz DPTYMDFGTKGVEA-UHFFFAOYSA-N 0 0 393.380 4.946 50 5 GJBARN O=[N+]([O-])c1cccc(-c2nnc(/C=C/c3ccc(OC(F)(F)F)cc3)o2)c1 ZINC000004390619 204043755 /nfs/dbraw/zinc/04/37/55/204043755.db2.gz PJUVKPJPBWAVPM-RMKNXTFCSA-N 0 0 377.278 4.714 50 5 GJBARN CC(C)(C)c1ccc(NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000004531851 204050885 /nfs/dbraw/zinc/05/08/85/204050885.db2.gz KXMDFPTYYQDFNN-UHFFFAOYSA-N 0 0 377.238 4.907 50 5 GJBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000004526406 204051266 /nfs/dbraw/zinc/05/12/66/204051266.db2.gz XEWYNGDVBMXJLA-RZNTYIFUSA-N 0 0 397.601 4.900 50 5 GJBARN Cc1ccc([N+](=O)[O-])c(C2=N/C(=C\c3cccc(Cl)c3Cl)C(=O)O2)c1 ZINC000004644608 204059365 /nfs/dbraw/zinc/05/93/65/204059365.db2.gz LZJXFVWTZJRBPX-JYRVWZFOSA-N 0 0 377.183 4.555 50 5 GJBARN O=C(Nc1cc(F)cc(F)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004668081 204061791 /nfs/dbraw/zinc/06/17/91/204061791.db2.gz QHBRSUJMJGZPJE-UHFFFAOYSA-N 0 0 383.354 4.737 50 5 GJBARN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])C1 ZINC000004668101 204061964 /nfs/dbraw/zinc/06/19/64/204061964.db2.gz YAPOZWZUAYUFIB-CHWSQXEVSA-N 0 0 389.402 4.608 50 5 GJBARN Cc1cc(I)ccc1NSc1ccccc1[N+](=O)[O-] ZINC000005258061 204122322 /nfs/dbraw/zinc/12/23/22/204122322.db2.gz MBFRMZYKOREOKF-UHFFFAOYSA-N 0 0 386.214 4.627 50 5 GJBARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000006589634 204186642 /nfs/dbraw/zinc/18/66/42/204186642.db2.gz DCUQGOHTVVNZLH-UHFFFAOYSA-N 0 0 391.811 4.687 50 5 GJBARN COc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c([N+](=O)[O-])c1 ZINC000006642274 204187879 /nfs/dbraw/zinc/18/78/79/204187879.db2.gz WOMWRDFFGPHHRZ-ZZXKWVIFSA-N 0 0 397.214 4.571 50 5 GJBARN Cc1c(NC(=O)CSc2nc3ccccc3n2CC(C)C)cccc1[N+](=O)[O-] ZINC000006648982 204188080 /nfs/dbraw/zinc/18/80/80/204188080.db2.gz DDEVXRUEWMNGOX-UHFFFAOYSA-N 0 0 398.488 4.640 50 5 GJBARN COc1cccc(C(=O)Nc2ccc3c(c2)oc2c(Cl)cccc2c3=O)c1 ZINC000006660659 204190909 /nfs/dbraw/zinc/19/09/09/204190909.db2.gz IWYLVYSDLMVPRV-UHFFFAOYSA-N 0 0 379.799 4.861 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000006675597 204191270 /nfs/dbraw/zinc/19/12/70/204191270.db2.gz HZEVQTZFQZFGQX-UHFFFAOYSA-N 0 0 384.432 4.669 50 5 GJBARN Cc1cc(C)cc(NC(=O)[C@@H](Oc2ccc(C)nc2[N+](=O)[O-])c2ccccc2)c1 ZINC000006912394 204222772 /nfs/dbraw/zinc/22/27/72/204222772.db2.gz YBGGJHXKUWOFNR-FQEVSTJZSA-N 0 0 391.427 4.674 50 5 GJBARN Cc1ccc(Cl)cc1Nc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000006898081 204223036 /nfs/dbraw/zinc/22/30/36/204223036.db2.gz RNALAMOYEALEGK-UHFFFAOYSA-N 0 0 391.218 4.882 50 5 GJBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000009087670 204297872 /nfs/dbraw/zinc/29/78/72/204297872.db2.gz ONMAJLFNXRHXHF-UHFFFAOYSA-N 0 0 387.355 4.857 50 5 GJBARN CC(C)c1ccc(-n2ccnc(SCc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000033039907 204941787 /nfs/dbraw/zinc/94/17/87/204941787.db2.gz IARURTUARBTJPR-UHFFFAOYSA-N 0 0 381.457 4.556 50 5 GJBARN COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000079191975 205058930 /nfs/dbraw/zinc/05/89/30/205058930.db2.gz HPFNBGLLMQUIIO-UHFFFAOYSA-N 0 0 389.411 4.586 50 5 biogenic GJBARN O=[N+]([O-])c1cccc(C=C2CCCC3C2=NC(=S)N[C@@H]3c2ccccc2)c1 ZINC000057374810 205157218 /nfs/dbraw/zinc/15/72/18/205157218.db2.gz YNEWEISRBQJILB-APEZIOSESA-N 0 0 377.469 4.635 50 5 GJBARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)no2)cc1 ZINC000061997102 205184707 /nfs/dbraw/zinc/18/47/07/205184707.db2.gz CAMXZSMKEMLMOB-UHFFFAOYSA-N 0 0 395.415 4.989 50 5 GJBARN Cc1cn(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc12 ZINC000064867922 205199774 /nfs/dbraw/zinc/19/97/74/205199774.db2.gz LLRWKAGTTWELDS-UHFFFAOYSA-N 0 0 392.440 4.620 50 5 GJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Br)ccc1Cl ZINC000001150823 205808257 /nfs/dbraw/zinc/80/82/57/205808257.db2.gz GRXVBJUSVOBNOA-UHFFFAOYSA-N 0 0 390.020 4.916 50 5 GJBARN CC(=O)Oc1cn(-c2ccc(Cl)cc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000101227430 211396363 /nfs/dbraw/zinc/39/63/63/211396363.db2.gz QSLDINFFTJTSRX-UHFFFAOYSA-N 0 0 390.830 4.714 50 5 GJBARN Cc1nc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ccc1[C@H](C)O ZINC000095455222 211242481 /nfs/dbraw/zinc/24/24/81/211242481.db2.gz GMWVNHANKNUJGR-VIFPVBQESA-N 0 0 389.761 4.636 50 5 GJBARN O=[N+]([O-])c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000072400680 211112084 /nfs/dbraw/zinc/11/20/84/211112084.db2.gz LSNJBIDKQIRWRQ-UHFFFAOYSA-N 0 0 380.316 4.881 50 5 in-vitro GJBARN COc1ccc(C2=Nc3ccc(F)cc3N=C(c3ccc([N+](=O)[O-])cc3)N2)cc1 ZINC000020447218 210333808 /nfs/dbraw/zinc/33/38/08/210333808.db2.gz LKCLIRCPASQFMD-UHFFFAOYSA-N 0 0 390.374 4.693 50 5 GJBARN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2[N+](=O)[O-])C1 ZINC000006249521 136195112 /nfs/dbraw/zinc/19/51/12/136195112.db2.gz RZTWIGQQRUWZCM-GFCCVEGCSA-N 0 0 391.830 4.876 50 5 GJBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(CCc1ccccc1F)CO2 ZINC000019890897 570227941 /nfs/dbraw/zinc/22/79/41/570227941.db2.gz 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CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cc(Cl)ccc1Cl ZINC000005125892 570421385 /nfs/dbraw/zinc/42/13/85/570421385.db2.gz YCFCMEXHSODFEL-OVCLIPMQSA-N 0 0 376.199 4.708 50 5 GJBARN Cc1ccc(C(=O)C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 ZINC000054124173 570449222 /nfs/dbraw/zinc/44/92/22/570449222.db2.gz ZRLWGEJHCFVKFD-UHFFFAOYSA-N 0 0 375.428 4.551 50 5 GJBARN Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)cc(-c2ccccc2)n1 ZINC000012016977 570454385 /nfs/dbraw/zinc/45/43/85/570454385.db2.gz MZUADMNLWSBBJO-UHFFFAOYSA-N 0 0 395.440 4.519 50 5 GJBARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000006542079 570472705 /nfs/dbraw/zinc/47/27/05/570472705.db2.gz MQQBPGATNOIXAI-LBPRGKRZSA-N 0 0 390.823 4.557 50 5 GJBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccccc1Cl ZINC000006720316 570489852 /nfs/dbraw/zinc/48/98/52/570489852.db2.gz FPXKUCMNNVKVQL-UHFFFAOYSA-N 0 0 376.843 4.755 50 5 GJBARN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000006602613 570491847 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4.581 50 5 GJBARN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000095428276 211239333 /nfs/dbraw/zinc/23/93/33/211239333.db2.gz WAQXSKZRXKEGOV-LJQANCHMSA-N 0 0 386.329 4.532 50 5 GJBARN Cc1nc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ccc1[C@@H](C)O ZINC000095455221 211242673 /nfs/dbraw/zinc/24/26/73/211242673.db2.gz GMWVNHANKNUJGR-SECBINFHSA-N 0 0 389.761 4.636 50 5 GJBARN C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2s1 ZINC000089913749 211186240 /nfs/dbraw/zinc/18/62/40/211186240.db2.gz NJOGJLOCQRAUMI-NSHDSACASA-N 0 0 381.413 4.533 50 5 GJBARN C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000019907532 210306303 /nfs/dbraw/zinc/30/63/03/210306303.db2.gz RVJZQWYATNDBQG-SORVUCRQSA-N 0 0 383.492 4.870 50 5 GJBARN O=c1oc2c(ccc3c2CN(CCc2ccc(Cl)cc2)CO3)c2ccccc12 ZINC000019882512 210305270 /nfs/dbraw/zinc/30/52/70/210305270.db2.gz UQRVGWUOEYCASE-UHFFFAOYSA-N 0 0 391.854 4.994 50 5 biogenic GJBARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])o2)c2ccc(C)cc2)cc1 ZINC000003270318 220619768 /nfs/dbraw/zinc/61/97/68/220619768.db2.gz CWEQRYZHHRBMEE-HXUWFJFHSA-N 0 0 379.368 4.586 50 5 GJBARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001153917 136196073 /nfs/dbraw/zinc/19/60/73/136196073.db2.gz AREQHTORZWYQQF-NRFANRHFSA-N 0 0 389.411 4.765 50 5 GJBARN COc1ccc2cc(COC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c(Cl)nc2c1 ZINC000011584064 570231901 /nfs/dbraw/zinc/23/19/01/570231901.db2.gz VJRYOBNUWBDIGE-VMPITWQZSA-N 0 0 398.802 4.562 50 5 GJBARN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012844717 570264830 /nfs/dbraw/zinc/26/48/30/570264830.db2.gz IIPWCGMHVNETTQ-UHFFFAOYSA-N 0 0 387.457 4.826 50 5 GJBARN COc1ccc(-c2noc(-c3ccc(N4CCCC[C@@H]4C)c([N+](=O)[O-])c3)n2)cc1 ZINC000015833786 570271028 /nfs/dbraw/zinc/27/10/28/570271028.db2.gz BOXMHFUQUFJANX-AWEZNQCLSA-N 0 0 394.431 4.699 50 5 GJBARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000676022 570288254 /nfs/dbraw/zinc/28/82/54/570288254.db2.gz OCIPZACIVUWXJS-UHFFFAOYSA-N 0 0 396.852 4.862 50 5 GJBARN CCOC(=O)c1sc2cccc(F)c2c1CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000024765746 570290644 /nfs/dbraw/zinc/29/06/44/570290644.db2.gz UKPHHUBREBEMKG-UHFFFAOYSA-N 0 0 392.383 4.877 50 5 GJBARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c12 ZINC000012930341 570300964 /nfs/dbraw/zinc/30/09/64/570300964.db2.gz BNHPESUGDGMTBO-UHFFFAOYSA-N 0 0 394.412 4.729 50 5 GJBARN COc1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c(OC)c1 ZINC000000783482 570323839 /nfs/dbraw/zinc/32/38/39/570323839.db2.gz KKNGOPKLSDGGTC-UHFFFAOYSA-N 0 0 392.820 4.732 50 5 GJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000001640270 570325728 /nfs/dbraw/zinc/32/57/28/570325728.db2.gz FIXVMMSSVDKOLA-UHFFFAOYSA-N 0 0 389.622 4.881 50 5 GJBARN O=C(Nc1cccc2cnccc21)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004867865 570351327 /nfs/dbraw/zinc/35/13/27/570351327.db2.gz YWASEWRLGRKTJL-UHFFFAOYSA-N 0 0 390.443 4.776 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/nfs/dbraw/zinc/52/50/10/570525010.db2.gz WBDSIQBPTXTBCV-UHFFFAOYSA-N 0 0 397.789 4.756 50 5 GJBARN CN(C)P(=Nc1ccc([N+](=O)[O-])cc1Br)(N(C)C)C(C)(C)C ZINC000005257674 570527793 /nfs/dbraw/zinc/52/77/93/570527793.db2.gz FPKJXOYJVKOOKQ-UHFFFAOYSA-N 0 0 391.250 4.942 50 5 GJBARN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1)C1CCCCC1 ZINC000006690860 570537580 /nfs/dbraw/zinc/53/75/80/570537580.db2.gz CBFCBZUEMDVWDC-UHFFFAOYSA-N 0 0 381.476 4.654 50 5 GJBARN O=C(N=c1[nH]c2ccc3ccccc3c2s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000006864926 570654311 /nfs/dbraw/zinc/65/43/11/570654311.db2.gz BPWLEFNREPJHBK-UHFFFAOYSA-N 0 0 383.816 4.685 50 5 GJBARN CCCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000005597609 570666469 /nfs/dbraw/zinc/66/64/69/570666469.db2.gz UIEQLRVVNUJJMS-UHFFFAOYSA-N 0 0 383.429 4.759 50 5 GJBARN NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc(Br)c1 ZINC000004616492 570674014 /nfs/dbraw/zinc/67/40/14/570674014.db2.gz JAYIIRHBUCMLPE-ATJXCDBQSA-N 0 0 393.240 4.680 50 5 GJBARN Cc1cccc(-n2c(/C=C\c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 ZINC000032629555 570711569 /nfs/dbraw/zinc/71/15/69/570711569.db2.gz BFHCXISIVRUOEF-SEYXRHQNSA-N 0 0 383.407 4.773 50 5 GJBARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000000989922 570743011 /nfs/dbraw/zinc/74/30/11/570743011.db2.gz YROMVRSKSQJAMU-SJKOYZFVSA-N 0 0 385.489 4.661 50 5 GJBARN O=[N+]([O-])c1cccc(-c2ccc(-c3nn4c(nnc4-c4ccccc4)s3)o2)c1 ZINC000001113915 570753928 /nfs/dbraw/zinc/75/39/28/570753928.db2.gz UTRCOKAEWWQDTA-UHFFFAOYSA-N 0 0 389.396 4.688 50 5 GJBARN O=C(Oc1c(Br)c2c(cc1[N+](=O)[O-])CCCC2)c1cccs1 ZINC000001114647 570753957 /nfs/dbraw/zinc/75/39/57/570753957.db2.gz HIYBZRKLHHDEBU-UHFFFAOYSA-N 0 0 382.235 4.517 50 5 GJBARN CCc1sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000001130111 570756170 /nfs/dbraw/zinc/75/61/70/570756170.db2.gz GEFNAKXVWPOEEE-UHFFFAOYSA-N 0 0 383.429 4.542 50 5 GJBARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001180736 570790847 /nfs/dbraw/zinc/79/08/47/570790847.db2.gz LEGHMOADXJLRQE-UHFFFAOYSA-N 0 0 388.383 4.667 50 5 GJBARN CCOc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br ZINC000001185110 570791523 /nfs/dbraw/zinc/79/15/23/570791523.db2.gz ARTSJQDUQMQWIY-UHFFFAOYSA-N 0 0 399.628 4.662 50 5 GJBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000032857502 570855806 /nfs/dbraw/zinc/85/58/06/570855806.db2.gz BOTVREJBHRYIFO-UHFFFAOYSA-N 0 0 394.456 4.576 50 5 GJBARN Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F ZINC000012558666 570861056 /nfs/dbraw/zinc/86/10/56/570861056.db2.gz WNFHLUSKKDGASJ-MRXNPFEDSA-N 0 0 394.328 4.688 50 5 GJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1 ZINC000012599986 570886316 /nfs/dbraw/zinc/88/63/16/570886316.db2.gz MEAHKQPPZSDOJG-UHFFFAOYSA-N 0 0 396.424 4.752 50 5 GJBARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007706080 571019099 /nfs/dbraw/zinc/01/90/99/571019099.db2.gz KJOUOUNBEYOHOD-SNVBAGLBSA-N 0 0 375.837 4.691 50 5 GJBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000015646840 571033874 /nfs/dbraw/zinc/03/38/74/571033874.db2.gz JOTWWZFJSJCOEQ-HNNXBMFYSA-N 0 0 387.848 4.835 50 5 GJBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000007780749 571038142 /nfs/dbraw/zinc/03/81/42/571038142.db2.gz MMBQFCKHMLAAAQ-INIZCTEOSA-N 0 0 383.370 4.846 50 5 GJBARN CC(C)C(=O)Oc1cn(C2CC2)c2nc(C(C)C)n3c4ccccc4nc3c12 ZINC000013238149 210055974 /nfs/dbraw/zinc/05/59/74/210055974.db2.gz WFYFIJUFWNYTDA-UHFFFAOYSA-N 0 0 376.460 4.857 50 5 GJBARN CCc1cccc(CC)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000011248112 209872300 /nfs/dbraw/zinc/87/23/00/209872300.db2.gz AMGHZXMJXGMTML-UHFFFAOYSA-N 0 0 384.479 4.918 50 5 GJBARN Cc1ccc2c(c1)nc(-c1cccc([N+](=O)[O-])c1)n2Cc1cccc([N+](=O)[O-])c1 ZINC000008464649 209781315 /nfs/dbraw/zinc/78/13/15/209781315.db2.gz QPGFIRIHCXDTJM-UHFFFAOYSA-N 0 0 388.383 4.876 50 5 GJBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NC1CCCCCCC1 ZINC000007778204 209745283 /nfs/dbraw/zinc/74/52/83/209745283.db2.gz DOCNFGOIMSFZDF-UHFFFAOYSA-N 0 0 379.507 4.526 50 5 GJBARN Cc1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000005050466 209562699 /nfs/dbraw/zinc/56/26/99/209562699.db2.gz MPKYGAITZDCJTD-HNNXBMFYSA-N 0 0 376.416 4.724 50 5 GJBARN CCOc1cc(/C=C/c2ccc3ccccc3n2)cc([N+](=O)[O-])c1OC(C)=O ZINC000005065504 209566487 /nfs/dbraw/zinc/56/64/87/209566487.db2.gz LKQNUUTWQTZYMV-CSKARUKUSA-N 0 0 378.384 4.637 50 5 GJBARN O=C(NCc1cccnc1)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003020204 209406608 /nfs/dbraw/zinc/40/66/08/209406608.db2.gz LJSRXGHXADYMEE-UHFFFAOYSA-N 0 0 399.859 4.724 50 5 GJBARN Cc1ccc(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000002890889 209395619 /nfs/dbraw/zinc/39/56/19/209395619.db2.gz DZTTXNOUDJNWAN-UHFFFAOYSA-N 0 0 385.470 4.758 50 5 GJBARN Cc1cccc(-n2c3nc4ccccc4nc3c3c2ncn(CCC(C)C)c3=O)c1 ZINC000002426275 209363598 /nfs/dbraw/zinc/36/35/98/209363598.db2.gz ULZLIWGNNBUURC-UHFFFAOYSA-N 0 0 397.482 4.638 50 5 GJBARN Cc1ccc(F)c(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)c1 ZINC000002763193 209382741 /nfs/dbraw/zinc/38/27/41/209382741.db2.gz UKAXUIXGBCMXOW-UHFFFAOYSA-N 0 0 384.363 4.775 50 5 GJBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C)c(C)c2)c1=O ZINC000002407384 209361811 /nfs/dbraw/zinc/36/18/11/209361811.db2.gz YMXGNTQJCDBMAD-MRXNPFEDSA-N 0 0 397.482 4.871 50 5 GJBARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc1c3ccccc3c(C)nn21 ZINC000002316371 209356443 /nfs/dbraw/zinc/35/64/43/209356443.db2.gz LLLHEYMUUZZNBF-UHFFFAOYSA-N 0 0 382.423 4.605 50 5 GJBARN CCCCc1nc2sc3c(nc(SC)n4cnnc34)c2c2c1CCCC2 ZINC000002249200 209353073 /nfs/dbraw/zinc/35/30/73/209353073.db2.gz RKMFEMJLVGYFJS-UHFFFAOYSA-N 0 0 383.546 4.831 50 5 GJBARN COc1ccc(-c2csc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)n2)cc1 ZINC000002200168 209350453 /nfs/dbraw/zinc/35/04/53/209350453.db2.gz OWVHBGUXZHXPJT-UHFFFAOYSA-N 0 0 380.381 4.500 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000001752569 209338117 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O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001207454 209314806 /nfs/dbraw/zinc/31/48/06/209314806.db2.gz ZEAFBECCTFZQIK-UHFFFAOYSA-N 0 0 394.774 4.704 50 5 GJBARN O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc(Cl)cc1 ZINC000001170956 209310126 /nfs/dbraw/zinc/31/01/26/209310126.db2.gz GZOVRRJAWWRREM-UHFFFAOYSA-N 0 0 394.770 4.841 50 5 GJBARN O=C(Nc1ccccc1OC(F)(F)C(F)F)c1cc([N+](=O)[O-])ccc1Cl ZINC000001069953 209296467 /nfs/dbraw/zinc/29/64/67/209296467.db2.gz ACAPCUUSQQSDIP-UHFFFAOYSA-N 0 0 392.692 4.737 50 5 GJBARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)c4cccc([N+](=O)[O-])c4)c32)C1 ZINC000000955189 209283722 /nfs/dbraw/zinc/28/37/22/209283722.db2.gz UPBNAHKTQKSHCB-NSHDSACASA-N 0 0 399.497 4.699 50 5 GJBARN CCOC(=O)[C@@H](Oc1ccc2c3ccccc3c(=O)oc2c1C)c1ccccc1 ZINC000000622172 209249819 /nfs/dbraw/zinc/24/98/19/209249819.db2.gz UAIHPIQVMGMISS-QFIPXVFZSA-N 0 0 388.419 4.938 50 5 GJBARN CCCCn1c(=O)nc2n(-c3cccc4ccccc43)c3ccccc3cc-2c1=O ZINC000003770961 212063769 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O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccccc1[N+](=O)[O-] ZINC000002982004 203978390 /nfs/dbraw/zinc/97/83/90/203978390.db2.gz RZIFVMHOILTZJA-FMIVXFBMSA-N 0 0 384.800 4.807 50 5 GJBARN C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1cccc(Cl)c1 ZINC000003381900 204002567 /nfs/dbraw/zinc/00/25/67/204002567.db2.gz LPTCLUOLTJSTMG-LBPRGKRZSA-N 0 0 399.786 4.936 50 5 GJBARN CCn1c2ccccc2c2cc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)ccc21 ZINC000003642259 204017309 /nfs/dbraw/zinc/01/73/09/204017309.db2.gz XWEYKWYDRZWODP-UHFFFAOYSA-N 0 0 389.411 4.984 50 5 GJBARN Cc1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1C(=O)N2Cc1ccc(F)cc1 ZINC000004107919 204027607 /nfs/dbraw/zinc/02/76/07/204027607.db2.gz JESVBKAQVHDCAG-UHFFFAOYSA-N 0 0 378.359 4.995 50 5 GJBARN Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000004699616 204065007 /nfs/dbraw/zinc/06/50/07/204065007.db2.gz CIAXJYXHIVKKIA-UHFFFAOYSA-N 0 0 382.489 4.980 50 5 GJBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(C(F)(F)F)c2)c2ncccc12 ZINC000004428011 204044270 /nfs/dbraw/zinc/04/42/70/204044270.db2.gz UYSNKBFTGQGFCG-UHFFFAOYSA-N 0 0 378.266 4.814 50 5 GJBARN COc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 ZINC000004615829 204057704 /nfs/dbraw/zinc/05/77/04/204057704.db2.gz PVHFNJRWDOEVGE-UHFFFAOYSA-N 0 0 394.383 4.657 50 5 GJBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005296816 204124654 /nfs/dbraw/zinc/12/46/54/204124654.db2.gz ROXPVMFRJQAZTI-UHFFFAOYSA-N 0 0 382.489 4.980 50 5 GJBARN COc1ccc(C(=O)C2=NNC[C@H]2c2c3ccccc3cc3ccccc32)cc1 ZINC000005320713 204126185 /nfs/dbraw/zinc/12/61/85/204126185.db2.gz OMRNTTDGMGLNHX-QFIPXVFZSA-N 0 0 380.447 4.927 50 5 GJBARN Cc1ccc2oc(=O)c3cc(C(=O)Nc4cccc([N+](=O)[O-])c4C)sc3c2c1 ZINC000004939511 204094769 /nfs/dbraw/zinc/09/47/69/204094769.db2.gz KDJSYUYMFOKQDQ-UHFFFAOYSA-N 0 0 394.408 4.785 50 5 GJBARN Cc1ccc(Nc2ccc(-c3nn(C)c(=O)c4ccccc43)cc2[N+](=O)[O-])cc1 ZINC000005041014 204106176 /nfs/dbraw/zinc/10/61/76/204106176.db2.gz DCBNXSIMMGCNGK-UHFFFAOYSA-N 0 0 386.411 4.561 50 5 GJBARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000005737155 204149214 /nfs/dbraw/zinc/14/92/14/204149214.db2.gz QPUMTIYFEPJZFK-NRFANRHFSA-N 0 0 376.412 4.805 50 5 GJBARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3cccc([N+](=O)[O-])c3)c2C1 ZINC000005938400 204158172 /nfs/dbraw/zinc/15/81/72/204158172.db2.gz LOJFGFIHUQYSPM-AWEZNQCLSA-N 0 0 376.412 4.625 50 5 GJBARN O=c1cc(CSc2nnc3n2CCCCC3)c2c(ccc3ccccc32)o1 ZINC000006097599 204165624 /nfs/dbraw/zinc/16/56/24/204165624.db2.gz ZIMGCJNHDFTLAW-UHFFFAOYSA-N 0 0 377.469 4.556 50 5 GJBARN Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)Cc3ccccc3)c21 ZINC000005516108 204137042 /nfs/dbraw/zinc/13/70/42/204137042.db2.gz WPIYTIOVJSPIEQ-UHFFFAOYSA-N 0 0 395.462 4.832 50 5 GJBARN Cc1ccc(NC(=O)[C@H](OC(=O)C2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006376585 204176014 /nfs/dbraw/zinc/17/60/14/204176014.db2.gz CEURUGICJASAIL-HXUWFJFHSA-N 0 0 396.443 4.707 50 5 GJBARN Cc1ccc(N(Cc2cccs2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000011914558 204361329 /nfs/dbraw/zinc/36/13/29/204361329.db2.gz XBLXRGLGSSBLNM-UHFFFAOYSA-N 0 0 382.441 4.577 50 5 GJBARN COc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1Cc1ccccc1 ZINC000012040638 204368957 /nfs/dbraw/zinc/36/89/57/204368957.db2.gz LSPMAJXDOCADRN-UHFFFAOYSA-N 0 0 376.412 4.755 50 5 GJBARN Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000012551196 204422069 /nfs/dbraw/zinc/42/20/69/204422069.db2.gz NVVSPFIZNVFULF-MRXNPFEDSA-N 0 0 394.328 4.688 50 5 GJBARN CCc1ccc(CN2CCCn3cccc3[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000036347808 205012411 /nfs/dbraw/zinc/01/24/11/205012411.db2.gz XCAPJAXEWCOEBO-HSZRJFAPSA-N 0 0 375.472 4.954 50 5 GJBARN COc1ccccc1Oc1cc(C)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000037510888 205027953 /nfs/dbraw/zinc/02/79/53/205027953.db2.gz OIEAHZYVFPFMKH-UHFFFAOYSA-N 0 0 383.429 4.786 50 5 GJBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C(F)(F)F)c1 ZINC000060031318 205179877 /nfs/dbraw/zinc/17/98/77/205179877.db2.gz ZWMGDJLBPOOWMH-HNNXBMFYSA-N 0 0 394.349 4.726 50 5 GJBARN COc1ccc([C@H]2CCCCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000065626430 205239901 /nfs/dbraw/zinc/23/99/01/205239901.db2.gz BFFQMQRQRQQLOS-LJQANCHMSA-N 0 0 393.443 4.842 50 5 GJBARN COc1ccc2oc(-c3csc(NC(=O)c4cccc([N+](=O)[O-])c4)n3)cc2c1 ZINC000010882348 205863995 /nfs/dbraw/zinc/86/39/95/205863995.db2.gz ANJVCQANXNPGCE-UHFFFAOYSA-N 0 0 395.396 4.725 50 5 GJBARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000032825475 206091861 /nfs/dbraw/zinc/09/18/61/206091861.db2.gz MYGJADKHBYRLRN-KRWDZBQOSA-N 0 0 394.258 4.505 50 5 GJBARN O=c1oc2c(ccc3c2CN(Cc2ccccc2Cl)CO3)c2ccccc12 ZINC000019882362 210304372 /nfs/dbraw/zinc/30/43/72/210304372.db2.gz KSFUOJXTLZHCLI-UHFFFAOYSA-N 0 0 377.827 4.952 50 5 biogenic GJBARN CCc1cc(N2CCc3sccc3[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000083820394 136174408 /nfs/dbraw/zinc/17/44/08/136174408.db2.gz BQZUFLCNHQULCV-ZDUSSCGKSA-N 0 0 380.473 4.799 50 5 GJBARN C[C@H](c1cccs1)N(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000105766786 136196478 /nfs/dbraw/zinc/19/64/78/136196478.db2.gz WIIDXBCSSUKCJO-LSDHHAIUSA-N 0 0 387.505 4.726 50 5 GJBARN CCOc1ccc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000040090742 221904510 /nfs/dbraw/zinc/90/45/10/221904510.db2.gz UYWJTBWHTJKKMT-NRFANRHFSA-N 0 0 376.412 4.513 50 5 GJBARN CCc1ccc2c(c1)sc(C(=O)Nc1ccc([N+](=O)[O-])c(N)c1)c2Cl ZINC000006284340 570247065 /nfs/dbraw/zinc/24/70/65/570247065.db2.gz IFQSBIYNAHLTHD-UHFFFAOYSA-N 0 0 375.837 4.860 50 5 GJBARN O=C(Nc1ccc(Br)cc1F)c1cccc2nc3ccccc3nc21 ZINC000012277012 570280314 /nfs/dbraw/zinc/28/03/14/570280314.db2.gz PZVMRCXSQHYPTB-UHFFFAOYSA-N 0 0 396.219 4.937 50 5 GJBARN CCOc1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000000711897 570301349 /nfs/dbraw/zinc/30/13/49/570301349.db2.gz QMHLDHKDGZXTLB-UHFFFAOYSA-N 0 0 377.809 4.509 50 5 GJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000008115200 570360777 /nfs/dbraw/zinc/36/07/77/570360777.db2.gz NGLLAXDWWCFGDJ-DGSRBQDKSA-N 0 0 390.464 4.844 50 5 GJBARN O=C1OC(c2ccccc2)=NC1=CNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100477281 570370261 /nfs/dbraw/zinc/37/02/61/570370261.db2.gz WQPXJBSTCKHICC-XSFVSMFZSA-N 0 0 385.379 4.519 50 5 GJBARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004957908 570380349 /nfs/dbraw/zinc/38/03/49/570380349.db2.gz OZGHJLXUPFUSTJ-UHFFFAOYSA-N 0 0 393.281 4.902 50 5 GJBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)c1 ZINC000005042043 570404584 /nfs/dbraw/zinc/40/45/84/570404584.db2.gz JYQDRAQJSUAJHJ-UHFFFAOYSA-N 0 0 397.504 4.526 50 5 GJBARN O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc1 ZINC000005066784 570410282 /nfs/dbraw/zinc/41/02/82/570410282.db2.gz UZQKPXFBKQPLGU-UHFFFAOYSA-N 0 0 381.395 4.603 50 5 GJBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1Sc1ccccc1 ZINC000005109441 570419360 /nfs/dbraw/zinc/41/93/60/570419360.db2.gz QTNYYKIMMHDZRH-UHFFFAOYSA-N 0 0 380.425 4.764 50 5 GJBARN Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc2c1 ZINC000006506678 570460050 /nfs/dbraw/zinc/46/00/50/570460050.db2.gz ZHVUAXPQSXLXJP-JTQLQIEISA-N 0 0 390.852 4.552 50 5 GJBARN Cc1ccc(CN(CCc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000006789920 570595253 /nfs/dbraw/zinc/59/52/53/570595253.db2.gz XWPHOGSZONOAPP-UHFFFAOYSA-N 0 0 380.469 4.850 50 5 GJBARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1)NCc1ccccc1 ZINC000006834291 570637171 /nfs/dbraw/zinc/63/71/71/570637171.db2.gz GBSNFXFWLFDLIH-OAQYLSRUSA-N 0 0 399.450 4.915 50 5 GJBARN Cc1nc2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2s1 ZINC000005578245 570660419 /nfs/dbraw/zinc/66/04/19/570660419.db2.gz HAVMPNXZCYFYNV-UHFFFAOYSA-N 0 0 392.234 4.528 50 5 GJBARN CCN(CC)c1nc(C)c(C(=S)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000013636267 570663422 /nfs/dbraw/zinc/66/34/22/570663422.db2.gz DKCVZWQRTVXRGB-UHFFFAOYSA-N 0 0 384.914 4.647 50 5 GJBARN O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000001007216 570744793 /nfs/dbraw/zinc/74/47/93/570744793.db2.gz WOVOPMKCIDWQHD-YLJYHZDGSA-N 0 0 377.425 4.899 50 5 GJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Br)cc1 ZINC000001062147 570749498 /nfs/dbraw/zinc/74/94/98/570749498.db2.gz SWWJAPQUMYLDQB-UHFFFAOYSA-N 0 0 395.278 4.538 50 5 GJBARN Cc1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1C ZINC000001085685 570750674 /nfs/dbraw/zinc/75/06/74/570750674.db2.gz XNJOFDCCHHOXEH-UHFFFAOYSA-N 0 0 388.379 4.805 50 5 GJBARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001206607 570793294 /nfs/dbraw/zinc/79/32/94/570793294.db2.gz HYXNTIBXHXMBKV-UHFFFAOYSA-N 0 0 393.877 4.897 50 5 GJBARN COc1ccc(CNc2ccc(C(=O)Nc3cccc(C)c3)cc2[N+](=O)[O-])cc1 ZINC000004668177 570814292 /nfs/dbraw/zinc/81/42/92/570814292.db2.gz JNJLCJWGLYYFMR-UHFFFAOYSA-N 0 0 391.427 4.776 50 5 GJBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(F)c(F)c(F)c1F ZINC000005699620 570818184 /nfs/dbraw/zinc/81/81/84/570818184.db2.gz DQAONXGFVOLOCO-UHFFFAOYSA-N 0 0 397.309 4.527 50 5 GJBARN Cc1ccc([C@@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000012537755 570837167 /nfs/dbraw/zinc/83/71/67/570837167.db2.gz FLDZQEQWXWMRPI-QFIPXVFZSA-N 0 0 396.490 4.827 50 5 GJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(O)c2ccccc12 ZINC000012545064 570845768 /nfs/dbraw/zinc/84/57/68/570845768.db2.gz VBNBCIFTLYTXID-UHFFFAOYSA-N 0 0 394.430 4.652 50 5 GJBARN Cc1cc(C2=N/C(=C/c3ccc(-c4ccccc4)cc3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000097987578 570903534 /nfs/dbraw/zinc/90/35/34/570903534.db2.gz SRVYGIAESQWLPJ-XSFVSMFZSA-N 0 0 384.391 4.915 50 5 GJBARN O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccco3)Cc3cccs3)n2)cc1 ZINC000047406793 570955531 /nfs/dbraw/zinc/95/55/31/570955531.db2.gz XCDKOZOWXLQRAP-UHFFFAOYSA-N 0 0 396.428 4.502 50 5 GJBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2ccccc2OC)cc1 ZINC000007597550 570963566 /nfs/dbraw/zinc/96/35/66/570963566.db2.gz HYEOGCUDIUQBCL-UHFFFAOYSA-N 0 0 393.395 4.541 50 5 GJBARN CC(C)c1nnc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)s1 ZINC000012742990 570986859 /nfs/dbraw/zinc/98/68/59/570986859.db2.gz RYNQOVCGEZSHRZ-UHFFFAOYSA-N 0 0 383.433 4.566 50 5 GJBARN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1cc2ccccc2oc1=O ZINC000001435451 571025185 /nfs/dbraw/zinc/02/51/85/571025185.db2.gz POVDEXKCWNYQSO-UHFFFAOYSA-N 0 0 386.363 4.621 50 5 GJBARN O=C(Cc1coc2ccc3ccccc3c12)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000084598184 571026117 /nfs/dbraw/zinc/02/61/17/571026117.db2.gz SPLACYYPVWLVIA-UHFFFAOYSA-N 0 0 382.322 4.954 50 5 GJBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccccc1C(F)(F)F ZINC000001515601 212248933 /nfs/dbraw/zinc/24/89/33/212248933.db2.gz DNNDGODKKGCFDP-AUWJEWJLSA-N 0 0 396.708 4.612 50 5 GJBARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000001313390 212235400 /nfs/dbraw/zinc/23/54/00/212235400.db2.gz LSVOSFMHICLJLP-UHFFFAOYSA-N 0 0 393.365 4.775 50 5 GJBARN CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000001168152 212224584 /nfs/dbraw/zinc/22/45/84/212224584.db2.gz DYJUBSPGWWBPRV-UHFFFAOYSA-N 0 0 379.416 4.953 50 5 GJBARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000001140780 212222259 /nfs/dbraw/zinc/22/22/59/212222259.db2.gz JKUWAEWCOXXNQY-UHFFFAOYSA-N 0 0 389.411 4.716 50 5 GJBARN O=[N+]([O-])c1ccc(-c2noc(-c3cc(Br)ccc3Cl)n2)cc1 ZINC000001116231 212219181 /nfs/dbraw/zinc/21/91/81/212219181.db2.gz VGGNTSLDDMUZQL-UHFFFAOYSA-N 0 0 380.585 4.728 50 5 GJBARN O=[N+]([O-])c1ccc(-c2csc(Cc3ccc(-c4csnn4)cc3)n2)cc1 ZINC000001035082 212207272 /nfs/dbraw/zinc/20/72/72/212207272.db2.gz KUYWQWKRVIZFCZ-UHFFFAOYSA-N 0 0 380.454 4.828 50 5 GJBARN CCOC(=O)c1c2ccccc2sc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000656834 212171045 /nfs/dbraw/zinc/17/10/45/212171045.db2.gz DZTOEXLDSKSTKV-ZHACJKMWSA-N 0 0 396.424 4.638 50 5 GJBARN COc1ccc(C(=O)COc2ccc3c4ccccc4c(=O)oc3c2C)cc1F ZINC000000622127 212165712 /nfs/dbraw/zinc/16/57/12/212165712.db2.gz SHCDELSNECNYEH-UHFFFAOYSA-N 0 0 392.382 4.664 50 5 GJBARN Cc1c2oc3c(nc4c(cnn4C)c3-c3cc4ccccc4[nH]c3=O)c2ccc1O ZINC000253623949 212136765 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4.932 50 5 GJBARN COc1cc(-c2nc3ccc([N+](=O)[O-])cc3n2-c2cccc(Cl)c2)ccc1O ZINC000001439911 206381543 /nfs/dbraw/zinc/38/15/43/206381543.db2.gz DWDLYMHJFWIDSU-UHFFFAOYSA-N 0 0 395.802 4.968 50 5 GJBARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000001197129 206367130 /nfs/dbraw/zinc/36/71/30/206367130.db2.gz HBHUACMPIHVSNT-UHFFFAOYSA-N 0 0 393.365 4.856 50 5 GJBARN Cc1cc([N+](=O)[O-])cc(C)c1OCCCCOc1c(C)cc([N+](=O)[O-])cc1C ZINC000002880285 206443560 /nfs/dbraw/zinc/44/35/60/206443560.db2.gz ZDAQDQSBYBOGEL-UHFFFAOYSA-N 0 0 388.420 4.975 50 5 GJBARN CC(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc32)cc1 ZINC000003252233 206465042 /nfs/dbraw/zinc/46/50/42/206465042.db2.gz WMWBJUXVZLBIHH-UHFFFAOYSA-N 0 0 397.430 4.991 50 5 GJBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000004571349 206529909 /nfs/dbraw/zinc/52/99/09/206529909.db2.gz KMYORFJVNHKUBJ-VXJOIVPMSA-N 0 0 377.853 4.863 50 5 GJBARN COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c2ccccc12 ZINC000004846146 206561496 /nfs/dbraw/zinc/56/14/96/206561496.db2.gz BHYIWECDMXQIIX-UHFFFAOYSA-N 0 0 390.439 4.978 50 5 GJBARN C[C@H](Nc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009376244 206784718 /nfs/dbraw/zinc/78/47/18/206784718.db2.gz DTTRBDDCQMAIPW-LBPRGKRZSA-N 0 0 375.856 4.985 50 5 GJBARN O=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012533569 206909248 /nfs/dbraw/zinc/90/92/48/206909248.db2.gz NMBVJWTXDQYHDD-UHFFFAOYSA-N 0 0 380.231 4.754 50 5 GJBARN C[C@]12CC3CC(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)(C1)C[C@@](C)(C3)C2 ZINC000018254263 207096978 /nfs/dbraw/zinc/09/69/78/207096978.db2.gz XMJDMPIOPSWRIU-QLOAFGCXSA-N 0 0 397.519 4.674 50 5 GJBARN Cc1c(C)c(C)c(C(=O)C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(C)c1C ZINC000020223948 207185007 /nfs/dbraw/zinc/18/50/07/207185007.db2.gz BMOHPALGFQTCEG-UHFFFAOYSA-N 0 0 381.476 4.631 50 5 GJBARN O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Sc1ccccn1 ZINC000020353862 207188407 /nfs/dbraw/zinc/18/84/07/207188407.db2.gz OIOJHCHBSBPXQL-UHFFFAOYSA-N 0 0 375.409 4.650 50 5 GJBARN O=C(c1ccccc1)c1ccc(NC[C@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000030859809 207376134 /nfs/dbraw/zinc/37/61/34/207376134.db2.gz TVSGHNQAQGSHCO-FQEVSTJZSA-N 0 0 396.830 4.625 50 5 GJBARN O=c1c2ccc3oc4ccccc4c4ccc(c(=O)n1-c1cccc(O)c1)c2c34 ZINC000095471041 208191201 /nfs/dbraw/zinc/19/12/01/208191201.db2.gz XJSILQMQMNDRKD-UHFFFAOYSA-N 0 0 379.371 4.547 50 5 GJBARN CC(=O)Oc1cn(-c2cccc(Cl)c2)c2nc(C)n3c4ccccc4nc3c12 ZINC000101271529 208389311 /nfs/dbraw/zinc/38/93/11/208389311.db2.gz QTHWEBZACHUMOQ-UHFFFAOYSA-N 0 0 390.830 4.714 50 5 GJBARN CC(C)(C)c1ccc(C2=N/C(=C/C=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000033738566 208997224 /nfs/dbraw/zinc/99/72/24/208997224.db2.gz XQPVUXIZTMQQFC-KMSIUWNWSA-N 0 0 376.412 4.793 50 5 GJBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000004750769 220761203 /nfs/dbraw/zinc/76/12/03/220761203.db2.gz ZDZRDISXIBPSDO-ACAGNQJTSA-N 0 0 397.601 4.900 50 5 GJBARN CC[C@H]1CCCCN1C(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C ZINC000004931054 220793499 /nfs/dbraw/zinc/79/34/99/220793499.db2.gz FFRIBMQLOMIMET-HNNXBMFYSA-N 0 0 398.488 4.684 50 5 GJBARN CC1CCN(c2cc(Nc3ccccc3Cl)c([N+](=O)[O-])c3nonc32)CC1 ZINC000005034231 220816854 /nfs/dbraw/zinc/81/68/54/220816854.db2.gz YBDDBMUXHOZZOY-UHFFFAOYSA-N 0 0 387.827 4.764 50 5 GJBARN Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1Cc1cccs1 ZINC000006599493 220944246 /nfs/dbraw/zinc/94/42/46/220944246.db2.gz RLMCPJZAAXUVLE-UHFFFAOYSA-N 0 0 388.420 4.524 50 5 GJBARN CCOc1cc(Sc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OCC ZINC000008705228 221051167 /nfs/dbraw/zinc/05/11/67/221051167.db2.gz WKNVPMBJMYNBEN-UHFFFAOYSA-N 0 0 376.434 4.502 50 5 GJBARN Cc1ccc(NC(=O)[C@@H](Sc2ccccn2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000011225429 221113499 /nfs/dbraw/zinc/11/34/99/221113499.db2.gz SUTVBKCZORZGER-IBGZPJMESA-N 0 0 379.441 4.770 50 5 GJBARN O=C(Nc1cccc(Cl)c1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012512328 221199979 /nfs/dbraw/zinc/19/99/79/221199979.db2.gz PVFPOMHLKGMWSO-UHFFFAOYSA-N 0 0 394.258 4.757 50 5 GJBARN Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cs1 ZINC000012614251 221215060 /nfs/dbraw/zinc/21/50/60/221215060.db2.gz XIECRHKNGAXPQJ-UHFFFAOYSA-N 0 0 387.848 4.610 50 5 GJBARN COc1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1[N+](=O)[O-] ZINC000013002862 221255633 /nfs/dbraw/zinc/25/56/33/221255633.db2.gz IPNISTWNXZOPEA-UHFFFAOYSA-N 0 0 386.351 4.510 50 5 GJBARN COc1ccc(-c2noc(-c3ccc(N4CCCC[C@H]4C)c([N+](=O)[O-])c3)n2)cc1 ZINC000015833789 221346966 /nfs/dbraw/zinc/34/69/66/221346966.db2.gz BOXMHFUQUFJANX-CQSZACIVSA-N 0 0 394.431 4.699 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCC[C@H]1c1cccs1 ZINC000015867090 221350361 /nfs/dbraw/zinc/35/03/61/221350361.db2.gz UOBNVOYGWGKOEJ-HNNXBMFYSA-N 0 0 375.450 4.814 50 5 GJBARN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2Br)c1 ZINC000017965037 221386546 /nfs/dbraw/zinc/38/65/46/221386546.db2.gz BQPMKVDDKGXGIW-JTQLQIEISA-N 0 0 395.278 4.570 50 5 GJBARN O=[N+]([O-])c1ccc(N2CCC(CCc3ccc(O)cc3)CC2)c2ccncc21 ZINC000058434686 136155589 /nfs/dbraw/zinc/15/55/89/136155589.db2.gz GFHYGQJVWGULAL-UHFFFAOYSA-N 0 0 377.444 4.698 50 5 GJBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000028289247 221673113 /nfs/dbraw/zinc/67/31/13/221673113.db2.gz OXKCAMMVDXPMDC-FQEVSTJZSA-N 0 0 391.452 4.999 50 5 GJBARN C[S@](=O)Cc1cccc(C(=O)OCc2nc3ccccc3c3ccccc23)c1 ZINC000054748806 222014284 /nfs/dbraw/zinc/01/42/84/222014284.db2.gz DKYRARDLHNIQHW-MUUNZHRXSA-N 0 0 389.476 4.624 50 5 GJBARN Cc1ccc(Nc2nc(COC(=O)c3ccc([N+](=O)[O-])s3)cs2)cc1 ZINC000006054207 570229873 /nfs/dbraw/zinc/22/98/73/570229873.db2.gz DNLRVWBGDWNHOI-UHFFFAOYSA-N 0 0 375.431 4.522 50 5 GJBARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000012862591 570268422 /nfs/dbraw/zinc/26/84/22/570268422.db2.gz IUTCERBNICDLOC-UHFFFAOYSA-N 0 0 397.456 4.808 50 5 GJBARN CCc1ccc(-n2c3ncn([C@H](C)CC)c(=O)c3c3nc4ccccc4nc32)cc1 ZINC000002448597 570287458 /nfs/dbraw/zinc/28/74/58/570287458.db2.gz BQOFLBVFADLWQC-OAHLLOKOSA-N 0 0 397.482 4.817 50 5 GJBARN COc1cc(-c2noc(C(C)(C)C)n2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000034680447 570299414 /nfs/dbraw/zinc/29/94/14/570299414.db2.gz WTAVBNHGPMNANY-UHFFFAOYSA-N 0 0 383.404 4.530 50 5 GJBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)NC1CCCCC1 ZINC000002869153 570313590 /nfs/dbraw/zinc/31/35/90/570313590.db2.gz VAGHVIZUMGSISH-UHFFFAOYSA-N 0 0 390.512 4.577 50 5 GJBARN Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004872249 570351869 /nfs/dbraw/zinc/35/18/69/570351869.db2.gz MUXMTECFFFUETN-XNTDXEJSSA-N 0 0 383.407 4.773 50 5 GJBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004906286 570359425 /nfs/dbraw/zinc/35/94/25/570359425.db2.gz VKUYYBVHGDJQDM-UNMCSNQZSA-N 0 0 389.386 4.976 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000005034799 570403593 /nfs/dbraw/zinc/40/35/93/570403593.db2.gz ROGPEYPETDKTQZ-UHFFFAOYSA-N 0 0 389.367 4.664 50 5 GJBARN CN(C(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000005051326 570406457 /nfs/dbraw/zinc/40/64/57/570406457.db2.gz DIBSEAOLSMFZMY-UHFFFAOYSA-N 0 0 381.476 4.654 50 5 GJBARN O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005060549 570408544 /nfs/dbraw/zinc/40/85/44/570408544.db2.gz LPNXFROJIWKCKO-UHFFFAOYSA-N 0 0 375.428 4.939 50 5 GJBARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2CC(C)C)c1=O ZINC000005150422 570426217 /nfs/dbraw/zinc/42/62/17/570426217.db2.gz SEKGRGQVCHZUDM-UHFFFAOYSA-N 0 0 377.492 4.531 50 5 GJBARN O=C(Oc1ccc(Br)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006602510 570491802 /nfs/dbraw/zinc/49/18/02/570491802.db2.gz MXUBZOQTAOETSF-UHFFFAOYSA-N 0 0 391.004 4.883 50 5 GJBARN COc1ccc2c(c1)oc1nc(-c3cccs3)n3c4ccccc4nc3c1c2=O ZINC000005208065 570506519 /nfs/dbraw/zinc/50/65/19/570506519.db2.gz DWKLMTHYTBWAIK-UHFFFAOYSA-N 0 0 399.431 4.879 50 5 GJBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CSC2=Nc3ccccc3CS2)c1C ZINC000005325669 570554241 /nfs/dbraw/zinc/55/42/41/570554241.db2.gz NGRCBZSNMOYEQZ-UHFFFAOYSA-N 0 0 387.486 4.818 50 5 GJBARN COc1ccccc1Nc1nc(Nc2cccc(C)c2C)nc(C)c1[N+](=O)[O-] ZINC000005337827 570556675 /nfs/dbraw/zinc/55/66/75/570556675.db2.gz WEPPNEJENKSWEQ-UHFFFAOYSA-N 0 0 379.420 4.806 50 5 GJBARN Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000959529 570737055 /nfs/dbraw/zinc/73/70/55/570737055.db2.gz RBGXQOOQQXGKJR-UHFFFAOYSA-N 0 0 375.380 4.662 50 5 GJBARN CCCn1c2ccccc2c2nnc(SCc3ccc([N+](=O)[O-])cc3)nc21 ZINC000001132372 570756432 /nfs/dbraw/zinc/75/64/32/570756432.db2.gz QMCLNUCLCXPFEE-UHFFFAOYSA-N 0 0 379.445 4.590 50 5 GJBARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000001164553 570759580 /nfs/dbraw/zinc/75/95/80/570759580.db2.gz NZHIEZWTIZMVNV-NRFANRHFSA-N 0 0 375.380 4.684 50 5 GJBARN Cc1ccc(N[C@H](CCOC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1 ZINC000005687559 570809547 /nfs/dbraw/zinc/80/95/47/570809547.db2.gz JIDSTNVLAUGPMF-GOSISDBHSA-N 0 0 380.400 4.897 50 5 GJBARN O=c1c2ccccc2nc(/C=C\c2ccc(F)cc2)n1-c1cccc([N+](=O)[O-])c1 ZINC000033096860 570809630 /nfs/dbraw/zinc/80/96/30/570809630.db2.gz ZNIQPDTVEMCCSI-RAXLEYEMSA-N 0 0 387.370 4.603 50 5 GJBARN Cc1cccc(NC(=O)c2ccc(NCc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 ZINC000004668184 570814464 /nfs/dbraw/zinc/81/44/64/570814464.db2.gz QYSRAYILJHDGKK-UHFFFAOYSA-N 0 0 379.391 4.907 50 5 GJBARN O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000004688266 570834327 /nfs/dbraw/zinc/83/43/27/570834327.db2.gz VEWQCPIGRMSBBI-AQTBWJFISA-N 0 0 391.408 4.626 50 5 GJBARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000004700646 570842392 /nfs/dbraw/zinc/84/23/92/570842392.db2.gz QTBPACRDHZWWOL-UHFFFAOYSA-N 0 0 379.850 4.589 50 5 GJBARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 ZINC000004545486 570856632 /nfs/dbraw/zinc/85/66/32/570856632.db2.gz VDLOEIHCOXIVQR-QGHHPUGFSA-N 0 0 387.461 4.609 50 5 GJBARN COc1cccc2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc21 ZINC000004079235 570930719 /nfs/dbraw/zinc/93/07/19/570930719.db2.gz XVXSYVZXROZHDD-UHFFFAOYSA-N 0 0 385.426 4.680 50 5 GJBARN Cc1cccc(C(=O)NCc2ccccc2COCc2ccccc2)c1[N+](=O)[O-] ZINC000032925088 570935172 /nfs/dbraw/zinc/93/51/72/570935172.db2.gz ZBPXEZLBBDILTO-UHFFFAOYSA-N 0 0 390.439 4.550 50 5 GJBARN O=[N+]([O-])c1ccc2c(c1)[C@H]1NC(=S)N(c3ccccc3)[C@@]3(CCCCC[C@H]13)O2 ZINC000004767750 570972469 /nfs/dbraw/zinc/97/24/69/570972469.db2.gz DGWUBGIHXCKJOO-QFUCXCTJSA-N 0 0 395.484 4.700 50 5 GJBARN CCN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000004810090 570995758 /nfs/dbraw/zinc/99/57/58/570995758.db2.gz UYARPQIHFWOMLD-UHFFFAOYSA-N 0 0 389.411 4.514 50 5 GJBARN COc1ccc(-c2ccccc2)cc1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000023282910 571049332 /nfs/dbraw/zinc/04/93/32/571049332.db2.gz JVZNWNNOSGQZER-UHFFFAOYSA-N 0 0 394.427 4.900 50 5 GJBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccc(F)c(Cl)c1 ZINC000409415615 231204537 /nfs/dbraw/zinc/20/45/37/231204537.db2.gz SVMZOPCGSNTEHP-UHFFFAOYSA-N 0 0 383.766 4.738 50 5 GJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000001313647 212234814 /nfs/dbraw/zinc/23/48/14/212234814.db2.gz FCNGMPREWMSYNM-UHFFFAOYSA-N 0 0 395.396 4.907 50 5 GJBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)c(Cl)cc1Cl ZINC000001140227 212222493 /nfs/dbraw/zinc/22/24/93/212222493.db2.gz KDIACYLTLFRKSM-UHFFFAOYSA-N 0 0 375.595 4.573 50 5 GJBARN O=c1c2c(-c3cccc([N+](=O)[O-])c3)csc2ncn1Cc1cccc(Cl)c1 ZINC000000951905 212199967 /nfs/dbraw/zinc/19/99/67/212199967.db2.gz GLMXDIMULYWPAF-UHFFFAOYSA-N 0 0 397.843 4.735 50 5 GJBARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)c1cccc([N+](=O)[O-])c1 ZINC000001447961 212145054 /nfs/dbraw/zinc/14/50/54/212145054.db2.gz BDDUQQZNAVPABT-UHFFFAOYSA-N 0 0 387.347 4.587 50 5 biogenic GJBARN COc1cc(COc2ccc3c(c2)oc(=O)c2ccccc32)cc(OC)c1OC ZINC000001155661 212143816 /nfs/dbraw/zinc/14/38/16/212143816.db2.gz CTYGVPHXFAVHDC-UHFFFAOYSA-N 0 0 392.407 4.551 50 5 biogenic GJBARN O=[N+]([O-])c1cccc(-c2csc(-n3nc4c(c3C(F)(F)F)CCCC4)n2)c1 ZINC000033435662 212111413 /nfs/dbraw/zinc/11/14/13/212111413.db2.gz WBPWQIOYXZALAM-UHFFFAOYSA-N 0 0 394.378 4.802 50 5 GJBARN Cc1cc(Br)c(OC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000002156346 206249680 /nfs/dbraw/zinc/24/96/80/206249680.db2.gz MVFBNHZVODLWRO-UHFFFAOYSA-N 0 0 379.210 4.893 50 5 GJBARN O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 ZINC000033693723 206264508 /nfs/dbraw/zinc/26/45/08/206264508.db2.gz CXCFEDLTDZUJCD-AUWJEWJLSA-N 0 0 387.370 4.603 50 5 GJBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCS[C@@H]1c1ccccc1C(F)(F)F ZINC000000691003 206316532 /nfs/dbraw/zinc/31/65/32/206316532.db2.gz UXJFSXIDGUKMLX-MRXNPFEDSA-N 0 0 382.363 4.501 50 5 GJBARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)oc2c(C)c1 ZINC000000830443 206325613 /nfs/dbraw/zinc/32/56/13/206325613.db2.gz LYSVOROKLFSHDV-UHFFFAOYSA-N 0 0 377.356 4.865 50 5 GJBARN CCOc1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000000937391 206335873 /nfs/dbraw/zinc/33/58/73/206335873.db2.gz KPJDSHGHFSAKNV-UHFFFAOYSA-N 0 0 383.429 4.678 50 5 GJBARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001025133 206342427 /nfs/dbraw/zinc/34/24/27/206342427.db2.gz KIEGXLJFCOKEHD-UHFFFAOYSA-N 0 0 380.787 4.732 50 5 GJBARN O=c1c2ccccc2nc(Cc2cccc([N+](=O)[O-])c2)n1-c1ccccc1Cl ZINC000001154416 206361348 /nfs/dbraw/zinc/36/13/48/206361348.db2.gz FAOUZPJQBAPVKI-UHFFFAOYSA-N 0 0 391.814 4.538 50 5 GJBARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001221367 206369087 /nfs/dbraw/zinc/36/90/87/206369087.db2.gz VPSNLSSXTIAFHS-NRFANRHFSA-N 0 0 389.411 4.765 50 5 GJBARN O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000001220014 206369315 /nfs/dbraw/zinc/36/93/15/206369315.db2.gz XALZTPPSODKXFJ-SFHVURJKSA-N 0 0 377.425 4.648 50 5 GJBARN O=C1OC(c2cccc3ccccc32)=NC1=CNc1cc([N+](=O)[O-])ccc1Cl ZINC000004454776 206522028 /nfs/dbraw/zinc/52/20/28/206522028.db2.gz SGQAUQFYURHHOW-WOJGMQOQSA-N 0 0 393.786 4.658 50 5 GJBARN O=C(COC(=O)c1ccccc1F)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013856544 207002819 /nfs/dbraw/zinc/00/28/19/207002819.db2.gz KGGJRMSAIGYXDV-UHFFFAOYSA-N 0 0 395.342 4.566 50 5 GJBARN O=c1oc2c(ccc3c2CN(Cc2ccc(Cl)cc2)CO3)c2ccccc12 ZINC000019882352 207168386 /nfs/dbraw/zinc/16/83/86/207168386.db2.gz DURAYQOKZKMROQ-UHFFFAOYSA-N 0 0 377.827 4.952 50 5 biogenic GJBARN Cc1cc(C)cc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])c1 ZINC000020177449 207181374 /nfs/dbraw/zinc/18/13/74/207181374.db2.gz AZZHNALSULQOPI-UHFFFAOYSA-N 0 0 394.475 4.586 50 5 GJBARN CN(C)c1cc(Nc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c2nonc21 ZINC000027532372 207327458 /nfs/dbraw/zinc/32/74/58/207327458.db2.gz DKAGIPYRFPBKGO-UHFFFAOYSA-N 0 0 375.388 4.608 50 5 GJBARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029889520 207366707 /nfs/dbraw/zinc/36/67/07/207366707.db2.gz UEWHENHJUUHFHX-UHFFFAOYSA-N 0 0 399.859 4.504 50 5 GJBARN Cc1cccc([C@H](C)N(c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247717 207517978 /nfs/dbraw/zinc/51/79/78/207517978.db2.gz PCLCXKKONWWIGK-KRWDZBQOSA-N 0 0 396.468 4.860 50 5 GJBARN CCc1cccc2c([C@@H](CC(=O)NCC(C)C)c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000096276490 208299526 /nfs/dbraw/zinc/29/95/26/208299526.db2.gz RODJDWCNYWQOLQ-IBGZPJMESA-N 0 0 393.487 4.933 50 5 GJBARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000110448675 208445330 /nfs/dbraw/zinc/44/53/30/208445330.db2.gz AKUAEMJPLFSHKI-KRWDZBQOSA-N 0 0 397.862 4.874 50 5 GJBARN Cc1nc2c(c3nc4ccccc4nc3n2CCC(C)C)c(=O)n1C1CCCC1 ZINC000002247670 220513100 /nfs/dbraw/zinc/51/31/00/220513100.db2.gz OJVZISGSQXLXDH-UHFFFAOYSA-N 0 0 389.503 4.764 50 5 GJBARN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000012534916 221202840 /nfs/dbraw/zinc/20/28/40/221202840.db2.gz MYTKGMJLOJYPJF-MRXNPFEDSA-N 0 0 377.231 4.837 50 5 GJBARN Cn1ccnc1[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000012551194 221204828 /nfs/dbraw/zinc/20/48/28/221204828.db2.gz NVVSPFIZNVFULF-INIZCTEOSA-N 0 0 394.328 4.688 50 5 GJBARN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000012750139 221224544 /nfs/dbraw/zinc/22/45/44/221224544.db2.gz IMLOYHFQSHGRDR-CYBMUJFWSA-N 0 0 395.381 4.683 50 5 GJBARN Nc1nc(Nc2cccc(Cl)c2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000017209635 221380877 /nfs/dbraw/zinc/38/08/77/221380877.db2.gz STSPZWQISRWDND-UHFFFAOYSA-N 0 0 391.218 4.761 50 5 GJBARN O=C(c1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020120428 221472431 /nfs/dbraw/zinc/47/24/31/221472431.db2.gz VXTSHYIRMLEKQO-HSZRJFAPSA-N 0 0 397.434 4.864 50 5 GJBARN Cc1c(CSc2nnc(COc3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] ZINC000040127360 221909899 /nfs/dbraw/zinc/90/98/99/221909899.db2.gz JMFUZDDEWYXFAJ-UHFFFAOYSA-N 0 0 391.836 4.811 50 5 GJBARN O=[N+]([O-])c1cccc(Br)c1OCc1ccc(C(F)(F)F)cc1 ZINC000068675269 222171991 /nfs/dbraw/zinc/17/19/91/222171991.db2.gz IAEUUNDCOHBWAX-UHFFFAOYSA-N 0 0 376.128 4.955 50 5 GJBARN O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(C(F)(F)F)c1 ZINC000072027337 222204796 /nfs/dbraw/zinc/20/47/96/222204796.db2.gz MACNZLPKINGAKO-UHFFFAOYSA-N 0 0 390.365 4.874 50 5 GJBARN CC(C)(C)OC(=O)CN(Cc1ccc([N+](=O)[O-])s1)Cc1ccc(Cl)cc1 ZINC000084559538 222317877 /nfs/dbraw/zinc/31/78/77/222317877.db2.gz WYSLOKHVFKLWOU-UHFFFAOYSA-N 0 0 396.896 4.654 50 5 in-vitro GJBARN C[C@@H]1Oc2ccccc2C=C1c1c2cnn(C)c2[nH]c2c1oc1cc(O)cc(=O)c12 ZINC000409415346 534213632 /nfs/dbraw/zinc/21/36/32/534213632.db2.gz BOJJKIYDOFCFNL-NSHDSACASA-N 0 0 399.406 4.600 50 5 biogenic GJBARN O=C(NCc1ccco1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000004832444 570305742 /nfs/dbraw/zinc/30/57/42/570305742.db2.gz UQDUBERNZNKONZ-UHFFFAOYSA-N 0 0 388.832 4.922 50 5 GJBARN Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004852382 570346706 /nfs/dbraw/zinc/34/67/06/570346706.db2.gz UHINAXMZUMXXLE-UHFFFAOYSA-N 0 0 384.395 4.766 50 5 GJBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 ZINC000004918199 570362904 /nfs/dbraw/zinc/36/29/04/570362904.db2.gz YLPYSTDYNCCNNG-NTCAYCPXSA-N 0 0 397.434 4.718 50 5 GJBARN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000004980411 570385878 /nfs/dbraw/zinc/38/58/78/570385878.db2.gz DYAMLQRCBGEWJB-UHFFFAOYSA-N 0 0 397.862 4.830 50 5 GJBARN O=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000005014227 570395027 /nfs/dbraw/zinc/39/50/27/570395027.db2.gz YXZRWYWXOWXPMU-VAWYXSNFSA-N 0 0 375.409 4.526 50 5 GJBARN CCN(C(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1)c1ccccc1 ZINC000005065178 570409325 /nfs/dbraw/zinc/40/93/25/570409325.db2.gz GGXBRGMEYQXEAH-UHFFFAOYSA-N 0 0 389.455 4.916 50 5 GJBARN O=[N+]([O-])c1ccc(-c2nnc(CSc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000006509535 570461902 /nfs/dbraw/zinc/46/19/02/570461902.db2.gz GIDVMQGFGWDEHM-UHFFFAOYSA-N 0 0 381.335 4.956 50 5 GJBARN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br ZINC000005173399 570492579 /nfs/dbraw/zinc/49/25/79/570492579.db2.gz NBYWNKCZVJUUGP-UHFFFAOYSA-N 0 0 399.628 4.662 50 5 GJBARN COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1[N+](=O)[O-] ZINC000006650325 570516935 /nfs/dbraw/zinc/51/69/35/570516935.db2.gz UHYRXPFVMVZPBL-UHFFFAOYSA-N 0 0 395.849 4.694 50 5 GJBARN Cc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247067 570581606 /nfs/dbraw/zinc/58/16/06/570581606.db2.gz LDODUWVQTRRZEK-UHFFFAOYSA-N 0 0 396.468 4.607 50 5 GJBARN O=C(c1c2ccccc2cc2ccccc21)N1CCC(N2CCCCC2=O)CC1 ZINC000159455080 570582244 /nfs/dbraw/zinc/58/22/44/570582244.db2.gz WDXKMEYQAXXXSC-UHFFFAOYSA-N 0 0 386.495 4.610 50 5 GJBARN O=[N+]([O-])c1cccc([C@H]2c3cccn3CCCN2Cc2ccc(F)c(F)c2)c1 ZINC000036347319 570628455 /nfs/dbraw/zinc/62/84/55/570628455.db2.gz FMTKTFKIYIKYLT-NRFANRHFSA-N 0 0 383.398 4.670 50 5 GJBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000005175263 570660418 /nfs/dbraw/zinc/66/04/18/570660418.db2.gz QBBOEPMNDWHKBV-UHFFFAOYSA-N 0 0 383.473 4.873 50 5 GJBARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc([N+](=O)[O-])o1 ZINC000000884861 570700739 /nfs/dbraw/zinc/70/07/39/570700739.db2.gz VIZWPTZAZLVHPD-UHFFFAOYSA-N 0 0 382.763 4.637 50 5 GJBARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000953139 570740031 /nfs/dbraw/zinc/74/00/31/570740031.db2.gz HSICFPMHNJASKQ-JTQLQIEISA-N 0 0 391.836 4.572 50 5 GJBARN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001132437 570756555 /nfs/dbraw/zinc/75/65/55/570756555.db2.gz HTYLFKDOHVRXPX-UHFFFAOYSA-N 0 0 392.802 4.815 50 5 GJBARN CCCCOc1ccc(/C=C2/N=C(/C=C/c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000004427172 570756618 /nfs/dbraw/zinc/75/66/18/570756618.db2.gz DRFDGFRMTFKKNL-QOSRDPBLSA-N 0 0 392.411 4.783 50 5 GJBARN Cc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 ZINC000004438550 570769166 /nfs/dbraw/zinc/76/91/66/570769166.db2.gz XSMMFAHLWJGGDL-SDNWHVSQSA-N 0 0 383.407 4.773 50 5 GJBARN COc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000004647292 570800465 /nfs/dbraw/zinc/80/04/65/570800465.db2.gz JJARTENOXWQYRC-UHFFFAOYSA-N 0 0 387.395 4.954 50 5 GJBARN O=C(CSc1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000004496723 570812442 /nfs/dbraw/zinc/81/24/42/570812442.db2.gz NERIGTKDPRHNLS-UHFFFAOYSA-N 0 0 389.433 4.588 50 5 GJBARN Cc1ccc(NC(=O)c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)cc1F ZINC000004668214 570814548 /nfs/dbraw/zinc/81/45/48/570814548.db2.gz FGHWMXIXDSEMKW-UHFFFAOYSA-N 0 0 393.418 4.949 50 5 aggregator GJBARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000101192107 570816559 /nfs/dbraw/zinc/81/65/59/570816559.db2.gz GOILEYLRHUVGNL-UHFFFAOYSA-N 0 0 386.363 4.621 50 5 GJBARN Cc1cccc(C)c1NS(=O)(=O)c1ccc2oc3cc([N+](=O)[O-])ccc3c2c1 ZINC000004694544 570836773 /nfs/dbraw/zinc/83/67/73/570836773.db2.gz JTCSCABPMIZZFC-UHFFFAOYSA-N 0 0 396.424 4.912 50 5 GJBARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000004715903 570855785 /nfs/dbraw/zinc/85/57/85/570855785.db2.gz DXCNXTIHYULOJB-GORDUTHDSA-N 0 0 385.178 4.701 50 5 GJBARN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000004553363 570880136 /nfs/dbraw/zinc/88/01/36/570880136.db2.gz WGZIHTYLJHSAKB-UHFFFAOYSA-N 0 0 393.399 4.702 50 5 GJBARN Cc1ccc(Cl)c(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000014234265 570904153 /nfs/dbraw/zinc/90/41/53/570904153.db2.gz SJHUSLGTXDRBPZ-UHFFFAOYSA-N 0 0 377.827 4.722 50 5 GJBARN Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)ccc1[N+](=O)[O-] ZINC000004749120 570954930 /nfs/dbraw/zinc/95/49/30/570954930.db2.gz AJRPTZSCXUVWMP-UHFFFAOYSA-N 0 0 389.367 4.669 50 5 GJBARN C[C@@H](Nc1ccc(C(=O)N2CCCCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052937981 570957730 /nfs/dbraw/zinc/95/77/30/570957730.db2.gz SSVFNCKSAMQQLQ-MRXNPFEDSA-N 0 0 382.464 4.569 50 5 GJBARN CCN(CC)c1cc(C)c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2n1 ZINC000004757321 570994776 /nfs/dbraw/zinc/99/47/76/570994776.db2.gz MPNUBLPCAKDKEY-UHFFFAOYSA-N 0 0 378.432 4.550 50 5 GJBARN O=C1c2cccc(Oc3ccc(Cl)cc3)c2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004803646 570995400 /nfs/dbraw/zinc/99/54/00/570995400.db2.gz QEJOBMZBVKCDDZ-UHFFFAOYSA-N 0 0 394.770 4.841 50 5 GJBARN O=[N+]([O-])c1cccc([C@@H]2c3cccn3CCCN2Cc2cccc(F)c2F)c1 ZINC000037523499 571025127 /nfs/dbraw/zinc/02/51/27/571025127.db2.gz WOPDYYUQMSOFHD-OAQYLSRUSA-N 0 0 383.398 4.670 50 5 GJBARN C[C@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000084656309 571029728 /nfs/dbraw/zinc/02/97/28/571029728.db2.gz GHBZEVOTFGWURQ-GUYCJALGSA-N 0 0 396.472 4.812 50 5 GJBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cccc(Cl)c1Cl ZINC000001949001 212260266 /nfs/dbraw/zinc/26/02/66/212260266.db2.gz NXLILVSOMLJGGF-MLPAPPSSSA-N 0 0 397.601 4.900 50 5 GJBARN COc1ccc(CN2c3ccccc3Oc3cc([N+](=O)[O-])ccc3C2=O)cc1 ZINC000001430632 212245275 /nfs/dbraw/zinc/24/52/75/212245275.db2.gz WJLXAXBJDVALOL-UHFFFAOYSA-N 0 0 376.368 4.556 50 5 GJBARN CCC(C)(C)c1ccc(Oc2nc([N+](=O)[O-])nn2Cc2ccccc2F)cc1 ZINC000001426575 212243654 /nfs/dbraw/zinc/24/36/54/212243654.db2.gz IEIAAVOJJLLYOP-UHFFFAOYSA-N 0 0 384.411 4.854 50 5 GJBARN Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001387351 212241109 /nfs/dbraw/zinc/24/11/09/212241109.db2.gz XNYXSTJUSOSLCZ-UHFFFAOYSA-N 0 0 398.340 4.921 50 5 GJBARN O=[N+]([O-])c1ccc(CSc2nc(C(F)(F)F)cc(C(F)(F)F)n2)cc1 ZINC000001137318 212221758 /nfs/dbraw/zinc/22/17/58/212221758.db2.gz NSXVWJGQEUHNTH-UHFFFAOYSA-N 0 0 383.273 4.715 50 5 GJBARN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)c(Cl)c1 ZINC000001063360 212212990 /nfs/dbraw/zinc/21/29/90/212212990.db2.gz GEPPUESNZWJIAT-UHFFFAOYSA-N 0 0 395.227 4.672 50 5 GJBARN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)F)n3nc(-c4ccccc4)cc3n2)c1 ZINC000001040230 212208394 /nfs/dbraw/zinc/20/83/94/212208394.db2.gz SWWJSMSPOREESQ-UHFFFAOYSA-N 0 0 384.317 4.990 50 5 GJBARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000000989923 212202282 /nfs/dbraw/zinc/20/22/82/212202282.db2.gz YROMVRSKSQJAMU-SJCJKPOMSA-N 0 0 385.489 4.661 50 5 GJBARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000000855678 212190038 /nfs/dbraw/zinc/19/00/38/212190038.db2.gz RUDFFERGFQHSOJ-SJCJKPOMSA-N 0 0 385.489 4.661 50 5 GJBARN Cc1cccc([N+](=O)[O-])c1NC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000004542120 212080087 /nfs/dbraw/zinc/08/00/87/212080087.db2.gz NCJIICNNULVUSH-UHFFFAOYSA-N 0 0 389.622 4.881 50 5 GJBARN CCn1ccc(C(=O)Nc2cc(Oc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)n1 ZINC000000653253 206313763 /nfs/dbraw/zinc/31/37/63/206313763.db2.gz KZDURFPGJJDRJX-UHFFFAOYSA-N 0 0 386.795 4.509 50 5 GJBARN Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Sc1ccc(Cl)cc1 ZINC000000834974 206327094 /nfs/dbraw/zinc/32/70/94/206327094.db2.gz MGSNFEPBYBCMNL-UHFFFAOYSA-N 0 0 387.848 4.901 50 5 GJBARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000001124837 206356156 /nfs/dbraw/zinc/35/61/56/206356156.db2.gz UVSUTFBMELDTAY-UHFFFAOYSA-N 0 0 389.127 4.628 50 5 GJBARN Cc1nn(C(=O)COc2ccc(C)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001135730 206357536 /nfs/dbraw/zinc/35/75/36/206357536.db2.gz HQIIOJHVCICVBX-UHFFFAOYSA-N 0 0 397.456 4.587 50 5 GJBARN O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001316428 206372050 /nfs/dbraw/zinc/37/20/50/206372050.db2.gz UPQHBIZGGZVNRL-UHFFFAOYSA-N 0 0 377.400 4.707 50 5 GJBARN O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000001416445 206379691 /nfs/dbraw/zinc/37/96/91/206379691.db2.gz MEVAFMMIEPQFPW-OVCLIPMQSA-N 0 0 392.795 4.624 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)c(C)c(C)c2cc1Cl ZINC000001165137 206362522 /nfs/dbraw/zinc/36/25/22/206362522.db2.gz KNFLMVBLFVCNDD-UHFFFAOYSA-N 0 0 389.791 4.559 50 5 GJBARN O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000001188622 206365365 /nfs/dbraw/zinc/36/53/65/206365365.db2.gz GQJYBJSDMFIWBP-UKTHLTGXSA-N 0 0 384.800 4.807 50 5 GJBARN O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000001229563 206369601 /nfs/dbraw/zinc/36/96/01/206369601.db2.gz CZNSLCQKCSBINI-CCEZHUSRSA-N 0 0 381.409 4.832 50 5 GJBARN Cc1cc(Br)c(OC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000002156141 206399996 /nfs/dbraw/zinc/39/99/96/206399996.db2.gz UMDBIIRIORTXLS-UHFFFAOYSA-N 0 0 379.210 4.893 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(-c2ccccc2)cc1 ZINC000003332651 206471101 /nfs/dbraw/zinc/47/11/01/206471101.db2.gz WYPHLDFUBUONEK-OAHLLOKOSA-N 0 0 391.427 4.710 50 5 GJBARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004040790 206499861 /nfs/dbraw/zinc/49/98/61/206499861.db2.gz HSYBGVNLZDNYMP-FPYGCLRLSA-N 0 0 381.613 4.663 50 5 GJBARN CCN(CC)c1ccc(NC(=O)CSc2ccsc2[N+](=O)[O-])c(C)c1 ZINC000004912305 206570478 /nfs/dbraw/zinc/57/04/78/206570478.db2.gz IZPWPOGCARDTMP-UHFFFAOYSA-N 0 0 379.507 4.542 50 5 GJBARN Cc1c(NC(=O)c2ccc3c(c2)nc2c(c3Cl)CCC2)cccc1[N+](=O)[O-] ZINC000005035092 206586553 /nfs/dbraw/zinc/58/65/53/206586553.db2.gz AVYDUTFTIGDRKG-UHFFFAOYSA-N 0 0 381.819 4.846 50 5 GJBARN CCN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1 ZINC000005064184 206589449 /nfs/dbraw/zinc/58/94/49/206589449.db2.gz WKSHGTFNVAQFRH-UHFFFAOYSA-N 0 0 375.428 4.874 50 5 GJBARN CCCOc1ccc(C(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000006779058 206675434 /nfs/dbraw/zinc/67/54/34/206675434.db2.gz PIMQXVIXVJNMCR-UHFFFAOYSA-N 0 0 397.456 4.683 50 5 GJBARN O=[N+]([O-])c1cc(-c2noc(C3CCCCC3)n2)ccc1NCc1cccnc1 ZINC000009669054 206796122 /nfs/dbraw/zinc/79/61/22/206796122.db2.gz ZCZZRTAPWOTXJY-UHFFFAOYSA-N 0 0 379.420 4.700 50 5 GJBARN CCCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000012512086 206905691 /nfs/dbraw/zinc/90/56/91/206905691.db2.gz XJKRRHUYNJGWPO-UHFFFAOYSA-N 0 0 381.476 4.645 50 5 GJBARN Cc1cccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])c1 ZINC000015837274 207063860 /nfs/dbraw/zinc/06/38/60/207063860.db2.gz GHWAWPUCSLBMTD-YPKPFQOOSA-N 0 0 383.407 4.773 50 5 GJBARN Cc1cccc(-c2noc(-c3ccc(N4CCCC[C@H]4C)c([N+](=O)[O-])c3)n2)c1 ZINC000020897640 207218066 /nfs/dbraw/zinc/21/80/66/207218066.db2.gz HFQSRAUGBDLRJJ-OAHLLOKOSA-N 0 0 378.432 4.999 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000031612129 207382608 /nfs/dbraw/zinc/38/26/08/207382608.db2.gz XDXDRSFMGRDSPM-UHFFFAOYSA-N 0 0 379.368 4.657 50 5 GJBARN Cc1ccc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)c2n1 ZINC000072091042 207970044 /nfs/dbraw/zinc/97/00/44/207970044.db2.gz KBXCXSLPZZJSED-UHFFFAOYSA-N 0 0 390.443 4.694 50 5 GJBARN C[C@@H](Cc1nc2ccccc2s1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000084641002 208096039 /nfs/dbraw/zinc/09/60/39/208096039.db2.gz QPPQUOWNAUEPBD-JTQLQIEISA-N 0 0 390.852 4.611 50 5 GJBARN Cc1ccc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1[N+](=O)[O-] ZINC000095481701 208196178 /nfs/dbraw/zinc/19/61/78/208196178.db2.gz JCKQFSMGFCBEQV-UHFFFAOYSA-N 0 0 395.488 4.537 50 5 GJBARN O=C(c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000096011208 208252493 /nfs/dbraw/zinc/25/24/93/208252493.db2.gz CLFQQAHVCGJPGA-SFHVURJKSA-N 0 0 396.834 4.616 50 5 GJBARN O=C(Nc1ccc(F)cc1)c1sccc1Oc1ccc([N+](=O)[O-])cc1F ZINC000003128263 220605569 /nfs/dbraw/zinc/60/55/69/220605569.db2.gz OJXRUCLBEJTYFM-UHFFFAOYSA-N 0 0 376.340 4.979 50 5 GJBARN O=[N+]([O-])c1ccc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccccc2)cc1 ZINC000003556210 220656263 /nfs/dbraw/zinc/65/62/63/220656263.db2.gz XRFRESGHFSVRMU-GOSISDBHSA-N 0 0 396.472 4.504 50 5 GJBARN CC[C@@H]1CCCCN1C(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000004199230 220692490 /nfs/dbraw/zinc/69/24/90/220692490.db2.gz VFHMMKKEAMZKKJ-OAHLLOKOSA-N 0 0 399.403 4.700 50 5 GJBARN COc1ccc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1[N+](=O)[O-] ZINC000004739341 220758759 /nfs/dbraw/zinc/75/87/59/220758759.db2.gz CWESBQGEMAVARR-UHFFFAOYSA-N 0 0 398.227 4.772 50 5 GJBARN CCC(=O)Oc1cccc2ccc(/C=C/c3cc([N+](=O)[O-])ccc3OC)nc21 ZINC000005013665 220811297 /nfs/dbraw/zinc/81/12/97/220811297.db2.gz DTMQWUXPFIAQLP-CSKARUKUSA-N 0 0 378.384 4.637 50 5 GJBARN COc1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000006200121 220923681 /nfs/dbraw/zinc/92/36/81/220923681.db2.gz MGUCBPICJOFJMX-UHFFFAOYSA-N 0 0 389.367 4.664 50 5 GJBARN COc1ccc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1[N+](=O)[O-] ZINC000007756741 221010164 /nfs/dbraw/zinc/01/01/64/221010164.db2.gz LSKIZVVITOBDER-UHFFFAOYSA-N 0 0 397.456 4.904 50 5 GJBARN O=c1c2ccccc2oc2cc(OCc3ccc(Br)cc3)cc(O)c12 ZINC000008519990 221043415 /nfs/dbraw/zinc/04/34/15/221043415.db2.gz HMXBUIUXWALQPN-UHFFFAOYSA-N 0 0 397.224 4.993 50 5 biogenic GJBARN COc1ccc(-c2nnc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000008744581 221054073 /nfs/dbraw/zinc/05/40/73/221054073.db2.gz BUTWGPZCAMYYHL-NSHDSACASA-N 0 0 387.417 4.515 50 5 GJBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000013382002 221267568 /nfs/dbraw/zinc/26/75/68/221267568.db2.gz VKUYYBVHGDJQDM-IFMALSPDSA-N 0 0 389.386 4.976 50 5 GJBARN Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000013810321 221291103 /nfs/dbraw/zinc/29/11/03/221291103.db2.gz CGIOTFYGCQOTTI-CCEZHUSRSA-N 0 0 383.407 4.773 50 5 GJBARN Cc1ccc(-c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cc1 ZINC000015833773 221346872 /nfs/dbraw/zinc/34/68/72/221346872.db2.gz IXEHNSXBUNVRSZ-OAHLLOKOSA-N 0 0 378.432 4.857 50 5 GJBARN C[C@@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000024233622 221612567 /nfs/dbraw/zinc/61/25/67/221612567.db2.gz CVGBNWFEXJKYAE-CYBMUJFWSA-N 0 0 384.819 4.658 50 5 GJBARN COc1ccc(Oc2cc(C)nc(SCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000037510262 221871276 /nfs/dbraw/zinc/87/12/76/221871276.db2.gz WALXELZWCOHJIR-UHFFFAOYSA-N 0 0 383.429 4.786 50 5 GJBARN CCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(C1CCCC1)c2=O ZINC000005066244 528286411 /nfs/dbraw/zinc/28/64/11/528286411.db2.gz CDURTQYAWRVXON-UHFFFAOYSA-N 0 0 389.503 4.908 50 5 GJBARN Cc1cccc(-n2c(/C=C\c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 ZINC000033388359 570286107 /nfs/dbraw/zinc/28/61/07/570286107.db2.gz XSMMFAHLWJGGDL-KAMYIIQDSA-N 0 0 383.407 4.773 50 5 GJBARN Cc1c2ccccc2oc1C(=O)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 ZINC000004834451 570306231 /nfs/dbraw/zinc/30/62/31/570306231.db2.gz JMIKYQJVTHZYBO-UHFFFAOYSA-N 0 0 393.424 4.949 50 5 GJBARN CCCN(Cc1ccc(C)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000022135972 570306439 /nfs/dbraw/zinc/30/64/39/570306439.db2.gz QAMFHBRUTNHMOK-UHFFFAOYSA-N 0 0 398.506 4.902 50 5 GJBARN CC[C@@H]1CCCCN1C(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C ZINC000004931053 570372648 /nfs/dbraw/zinc/37/26/48/570372648.db2.gz FFRIBMQLOMIMET-OAHLLOKOSA-N 0 0 398.488 4.684 50 5 GJBARN CCOc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000004976834 570387871 /nfs/dbraw/zinc/38/78/71/570387871.db2.gz ANEVKCZSWJWKIK-UHFFFAOYSA-N 0 0 392.411 4.825 50 5 GJBARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004983414 570388831 /nfs/dbraw/zinc/38/88/31/570388831.db2.gz WVHCTQNLYHUHOB-UHFFFAOYSA-N 0 0 387.439 4.699 50 5 GJBARN COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000005041491 570404470 /nfs/dbraw/zinc/40/44/70/570404470.db2.gz FUUXBOCLYCZRGU-UHFFFAOYSA-N 0 0 388.383 4.691 50 5 GJBARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccccc1[N+](=O)[O-] ZINC000000839008 570410494 /nfs/dbraw/zinc/41/04/94/570410494.db2.gz OZOBLBORKSDVQF-UHFFFAOYSA-N 0 0 386.363 4.621 50 5 GJBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)C1=CCCCC1 ZINC000005087363 570414429 /nfs/dbraw/zinc/41/44/29/570414429.db2.gz KGSAAIPZRNRBHF-UHFFFAOYSA-N 0 0 390.823 4.707 50 5 GJBARN CCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000005093777 570415214 /nfs/dbraw/zinc/41/52/14/570415214.db2.gz ABHOTSUMBOYMOB-XBXARRHUSA-N 0 0 381.215 4.952 50 5 GJBARN CC(C)Cc1noc(CSc2nc3ccccc3c3nc4ccccc4n32)n1 ZINC000025988995 570421262 /nfs/dbraw/zinc/42/12/62/570421262.db2.gz DRUVUFXDCZQLKW-UHFFFAOYSA-N 0 0 389.484 4.910 50 5 GJBARN O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006475473 570445041 /nfs/dbraw/zinc/44/50/41/570445041.db2.gz AFULXJFBMOJUAY-UHFFFAOYSA-N 0 0 389.411 4.678 50 5 GJBARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005175771 570493392 /nfs/dbraw/zinc/49/33/92/570493392.db2.gz BTJOQCCMPSBRMW-MRVPVSSYSA-N 0 0 389.622 4.961 50 5 GJBARN O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000079093624 570510024 /nfs/dbraw/zinc/51/00/24/570510024.db2.gz XJMKIQYVITYOHK-CQSZACIVSA-N 0 0 386.757 4.601 50 5 GJBARN Cc1cccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1[N+](=O)[O-] ZINC000005227994 570518364 /nfs/dbraw/zinc/51/83/64/570518364.db2.gz WCIKZRIYDMKEHX-UHFFFAOYSA-N 0 0 398.459 4.946 50 5 GJBARN COc1ccccc1C(=O)Nc1ccc2c(c1)oc1c(Cl)cccc1c2=O ZINC000006660263 570523588 /nfs/dbraw/zinc/52/35/88/570523588.db2.gz SVOXBNGUBDEDCZ-UHFFFAOYSA-N 0 0 379.799 4.861 50 5 GJBARN Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 ZINC000005299704 570551958 /nfs/dbraw/zinc/55/19/58/570551958.db2.gz NLIJFVTVXKMIDY-UHFFFAOYSA-N 0 0 393.424 4.953 50 5 GJBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)s1 ZINC000004337122 570574825 /nfs/dbraw/zinc/57/48/25/570574825.db2.gz MRNCMPNIQHLSNF-OXQOHEQNSA-N 0 0 377.425 4.899 50 5 GJBARN Cc1cccc([C@@H](C)N(c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247716 570581674 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GJBARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000001164552 230821526 /nfs/dbraw/zinc/82/15/26/230821526.db2.gz NZHIEZWTIZMVNV-OAQYLSRUSA-N 0 0 375.380 4.684 50 5 GJBARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000001506349 212247755 /nfs/dbraw/zinc/24/77/55/212247755.db2.gz PAULIIIGQUULAD-JOCHJYFZSA-N 0 0 385.423 4.895 50 5 GJBARN CC(C)c1nc2ccccc2c(Sc2ccc3nsnc3c2[N+](=O)[O-])n1 ZINC000001421284 212243816 /nfs/dbraw/zinc/24/38/16/212243816.db2.gz AXWNTBRYIAXAAX-UHFFFAOYSA-N 0 0 383.458 4.817 50 5 GJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000001175894 212226175 /nfs/dbraw/zinc/22/61/75/212226175.db2.gz ZANKYUQLZVRUSE-UHFFFAOYSA-N 0 0 384.395 4.700 50 5 GJBARN O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCCCC3)cc2Cl)cc1 ZINC000001072997 212214362 /nfs/dbraw/zinc/21/43/62/212214362.db2.gz DSEYZABIKRFCNV-UHFFFAOYSA-N 0 0 390.892 4.989 50 5 GJBARN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001065432 212212331 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GJBARN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1C ZINC000001154136 206361067 /nfs/dbraw/zinc/36/10/67/206361067.db2.gz AYPJOZJTCUFSDZ-UHFFFAOYSA-N 0 0 388.379 4.805 50 5 GJBARN COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000001156798 206361441 /nfs/dbraw/zinc/36/14/41/206361441.db2.gz PTBKJLWUWDKBCJ-UHFFFAOYSA-N 0 0 389.367 4.664 50 5 GJBARN COc1ccccc1Oc1cc(NC(=O)c2cccc(C)c2)cc([N+](=O)[O-])c1 ZINC000002800070 206437534 /nfs/dbraw/zinc/43/75/34/206437534.db2.gz YZSJSIMOQMZXRX-UHFFFAOYSA-N 0 0 378.384 4.956 50 5 GJBARN Cc1ccn2c(c1)nc(-c1cccs1)c2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004597449 206532623 /nfs/dbraw/zinc/53/26/23/206532623.db2.gz REXJRKOVOFQFIA-UHFFFAOYSA-N 0 0 378.413 4.532 50 5 GJBARN O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(Cl)c1Cl ZINC000004590069 206533372 /nfs/dbraw/zinc/53/33/72/206533372.db2.gz XECULGJVFXQBJR-XFOMCHIZSA-N 0 0 389.194 4.911 50 5 GJBARN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000004930916 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OPAGSBSRPMBLDW-UHFFFAOYSA-N 0 0 379.397 4.952 50 5 GJBARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21 ZINC000101870231 208398236 /nfs/dbraw/zinc/39/82/36/208398236.db2.gz QFIBSOSDWWBSFK-YCAMKHIRSA-N 0 0 396.446 4.583 50 5 GJBARN Cc1ccc2cc3c(N)c(C(=O)Nc4ccccc4[N+](=O)[O-])sc3nc2c1 ZINC000004959799 208547252 /nfs/dbraw/zinc/54/72/52/208547252.db2.gz BVQAIANJPFFCOY-UHFFFAOYSA-N 0 0 378.413 4.501 50 5 GJBARN Cn1cnc([N+](=O)[O-])c1CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000170650862 208756836 /nfs/dbraw/zinc/75/68/36/208756836.db2.gz XNGXGDSMJWERTC-UHFFFAOYSA-N 0 0 391.456 4.678 50 5 GJBARN O=[N+]([O-])c1cccc(N2COc3ccc4cc(Br)ccc4c3C2)c1 ZINC000002297961 220520014 /nfs/dbraw/zinc/52/00/14/220520014.db2.gz WGANYEQGMVODCS-UHFFFAOYSA-N 0 0 385.217 4.867 50 5 GJBARN Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3c2C(=O)c2ccccc2-3)cc1 ZINC000002543678 220541634 /nfs/dbraw/zinc/54/16/34/220541634.db2.gz XAMORYVANQCBHT-UHFFFAOYSA-N 0 0 381.391 4.967 50 5 GJBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000004078806 220677895 /nfs/dbraw/zinc/67/78/95/220677895.db2.gz HPSUJWVBNVXWKL-ACCUITESSA-N 0 0 378.453 4.899 50 5 GJBARN O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000004660142 220741885 /nfs/dbraw/zinc/74/18/85/220741885.db2.gz WOVOPMKCIDWQHD-PXNSSMCTSA-N 0 0 377.425 4.899 50 5 GJBARN Cc1ccc(Nc2cc(N3CCC(C)CC3)c3nonc3c2[N+](=O)[O-])cc1C ZINC000005033770 220815913 /nfs/dbraw/zinc/81/59/13/220815913.db2.gz PEDYQLLRLWAHIX-UHFFFAOYSA-N 0 0 381.436 4.728 50 5 GJBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 ZINC000005108387 220831278 /nfs/dbraw/zinc/83/12/78/220831278.db2.gz CVYGQWGYDJCMSK-UHFFFAOYSA-N 0 0 380.425 4.764 50 5 GJBARN CCc1ccc(OCC(=O)N(Cc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005214227 220844263 /nfs/dbraw/zinc/84/42/63/220844263.db2.gz NBDKHIGWDUAJLA-UHFFFAOYSA-N 0 0 390.439 4.769 50 5 GJBARN CCc1ccc(OCC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 ZINC000005992678 220912421 /nfs/dbraw/zinc/91/24/21/220912421.db2.gz LVCDWEJJZKUHAL-UHFFFAOYSA-N 0 0 388.419 4.631 50 5 GJBARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000007655014 221004657 /nfs/dbraw/zinc/00/46/57/221004657.db2.gz CILWGNSUGPVXLP-UHFFFAOYSA-N 0 0 390.754 4.708 50 5 GJBARN CCCOc1ccccc1C(=O)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 ZINC000007997624 221022886 /nfs/dbraw/zinc/02/28/86/221022886.db2.gz RKXCLTJCQCEYSQ-UHFFFAOYSA-N 0 0 397.456 4.683 50 5 GJBARN Cc1ccc(F)cc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000009220857 221074605 /nfs/dbraw/zinc/07/46/05/221074605.db2.gz VVZAEYDQPYACAD-UHFFFAOYSA-N 0 0 394.406 4.837 50 5 GJBARN CCOc1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)cc1[N+](=O)[O-] ZINC000009426163 221080548 /nfs/dbraw/zinc/08/05/48/221080548.db2.gz SYZPPOZKSNCHIJ-UHFFFAOYSA-N 0 0 377.809 4.509 50 5 GJBARN Cc1cc(C)c(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)c(C)c1 ZINC000012521524 221201432 /nfs/dbraw/zinc/20/14/32/221201432.db2.gz FMAJODOPPDABCU-UHFFFAOYSA-N 0 0 386.451 4.624 50 5 GJBARN COc1ccc(Cc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1OC ZINC000013009521 221256421 /nfs/dbraw/zinc/25/64/21/221256421.db2.gz UTFYTJNIBFOTGI-UHFFFAOYSA-N 0 0 390.848 4.980 50 5 GJBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccccc3OC(F)F)nc12 ZINC000013643640 221278090 /nfs/dbraw/zinc/27/80/90/221278090.db2.gz COVCCQVPRGQXHH-UHFFFAOYSA-N 0 0 397.410 4.772 50 5 GJBARN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015670861 221338375 /nfs/dbraw/zinc/33/83/75/221338375.db2.gz ZTKGSOOEJZYTKI-QFIPXVFZSA-N 0 0 385.423 4.938 50 5 GJBARN Cc1c(-c2cccc(C)c2)nn(Cn2ccc([N+](=O)[O-])n2)c1-c1cccc(C)c1 ZINC000017079088 221377908 /nfs/dbraw/zinc/37/79/08/221377908.db2.gz PDQUXQACWOEBPG-UHFFFAOYSA-N 0 0 387.443 4.753 50 5 GJBARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000103005078 136190614 /nfs/dbraw/zinc/19/06/14/136190614.db2.gz DGOPYRWJPNTGBB-RGEXLXHISA-N 0 0 399.406 4.543 50 5 GJBARN CSc1cccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000006152591 136196805 /nfs/dbraw/zinc/19/68/05/136196805.db2.gz ORKIPHCZOSAAEQ-AWEZNQCLSA-N 0 0 385.489 4.805 50 5 GJBARN C[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000024233626 221611898 /nfs/dbraw/zinc/61/18/98/221611898.db2.gz CVGBNWFEXJKYAE-ZDUSSCGKSA-N 0 0 384.819 4.658 50 5 GJBARN CCCCOc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000061997117 222064232 /nfs/dbraw/zinc/06/42/32/222064232.db2.gz VJPYTSZZHRBDBN-UHFFFAOYSA-N 0 0 381.388 4.681 50 5 GJBARN O=C(c1ccc([N+](=O)[O-])o1)N(CCc1ccccc1)c1nc2ccccc2s1 ZINC000069610523 222174366 /nfs/dbraw/zinc/17/43/66/222174366.db2.gz BEWFVTHBQKHMOL-UHFFFAOYSA-N 0 0 393.424 4.687 50 5 GJBARN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])C1 ZINC000006249437 534176833 /nfs/dbraw/zinc/17/68/33/534176833.db2.gz UWYMWGGSHNZEGW-NSHDSACASA-N 0 0 393.365 4.501 50 5 GJBARN Cc1nn(C(=O)COc2ccc(C)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001465225 570232177 /nfs/dbraw/zinc/23/21/77/570232177.db2.gz JAEXHIRFIGOHCL-UHFFFAOYSA-N 0 0 397.456 4.587 50 5 GJBARN O=[N+]([O-])c1ccc2cnn(CN3CCCC[C@@H]3c3nc4ccccc4s3)c2c1 ZINC000023856144 570333892 /nfs/dbraw/zinc/33/38/92/570333892.db2.gz CONXJHXMBZNJHG-QGZVFWFLSA-N 0 0 393.472 4.739 50 5 GJBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cn1 ZINC000004881778 570354570 /nfs/dbraw/zinc/35/45/70/570354570.db2.gz JKWWPZWEELKPEG-UHFFFAOYSA-N 0 0 393.186 4.512 50 5 GJBARN CC(=O)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000008054372 570357609 /nfs/dbraw/zinc/35/76/09/570357609.db2.gz JVIMXDDLSFKXKS-UHFFFAOYSA-N 0 0 381.457 4.791 50 5 GJBARN COc1ccc(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1[N+](=O)[O-] ZINC000004906372 570359637 /nfs/dbraw/zinc/35/96/37/570359637.db2.gz OXWCXQHYICEUNT-UHFFFAOYSA-N 0 0 380.187 4.551 50 5 GJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1csc2c1CCCC2 ZINC000005014339 570396331 /nfs/dbraw/zinc/39/63/31/570396331.db2.gz ANFMOFISEBYTRS-UHFFFAOYSA-N 0 0 381.251 4.550 50 5 GJBARN CCc1nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c(=O)n1[C@@H](C)CC ZINC000005021727 570398260 /nfs/dbraw/zinc/39/82/60/570398260.db2.gz UDMQGDVWNBGVNN-HNNXBMFYSA-N 0 0 397.482 4.817 50 5 GJBARN Nc1nc(Nc2ccc(Cl)cc2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000005025159 570399181 /nfs/dbraw/zinc/39/91/81/570399181.db2.gz MROXFTSLLDHGSO-UHFFFAOYSA-N 0 0 391.218 4.761 50 5 GJBARN Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005033345 570401766 /nfs/dbraw/zinc/40/17/66/570401766.db2.gz QCKKRXSZBOTGJT-UHFFFAOYSA-N 0 0 381.344 4.632 50 5 GJBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)c1 ZINC000005072598 570412873 /nfs/dbraw/zinc/41/28/73/570412873.db2.gz UFHZITMPYKRVAG-UHFFFAOYSA-N 0 0 381.395 4.991 50 5 GJBARN Cc1csc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cn12 ZINC000005083725 570413587 /nfs/dbraw/zinc/41/35/87/570413587.db2.gz UYEOZXCOXLHHOS-UHFFFAOYSA-N 0 0 378.413 4.532 50 5 GJBARN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000054125112 570449246 /nfs/dbraw/zinc/44/92/46/570449246.db2.gz HRXPQSRVIINYLU-CYBMUJFWSA-N 0 0 380.379 4.554 50 5 GJBARN COc1ccccc1CN1COc2c(C)c3oc(=O)c4ccccc4c3cc2C1 ZINC000054278253 570470948 /nfs/dbraw/zinc/47/09/48/570470948.db2.gz MLIQOZRNJGDQIX-UHFFFAOYSA-N 0 0 387.435 4.615 50 5 biogenic GJBARN O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000005173370 570492514 /nfs/dbraw/zinc/49/25/14/570492514.db2.gz DQJJMVFEXIOLCK-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005175769 570493344 /nfs/dbraw/zinc/49/33/44/570493344.db2.gz BTJOQCCMPSBRMW-QMMMGPOBSA-N 0 0 389.622 4.961 50 5 GJBARN CCc1cccc2c([C@@H](CC(=O)NCC(C)C)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006735883 570558091 /nfs/dbraw/zinc/55/80/91/570558091.db2.gz RNAAFQKKKYUDNQ-FQEVSTJZSA-N 0 0 393.487 4.933 50 5 GJBARN Cc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247063 570581671 /nfs/dbraw/zinc/58/16/71/570581671.db2.gz CBFQNMDWRIYMDE-UHFFFAOYSA-N 0 0 396.468 4.607 50 5 GJBARN CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2[N+](=O)[O-])CC1 ZINC000033002178 570617778 /nfs/dbraw/zinc/61/77/78/570617778.db2.gz BPCSLJVYYBWSBF-UHFFFAOYSA-N 0 0 391.830 4.876 50 5 GJBARN O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1 ZINC000004615044 570671509 /nfs/dbraw/zinc/67/15/09/570671509.db2.gz PCOHBLWVXGXXIR-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN CC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccc(Cc3ccccc3)cc12 ZINC000001098861 570752069 /nfs/dbraw/zinc/75/20/69/570752069.db2.gz FAQYQKCDAAEAAE-UHFFFAOYSA-N 0 0 398.418 4.872 50 5 GJBARN CCc1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000001133037 570756426 /nfs/dbraw/zinc/75/64/26/570756426.db2.gz NMRSQPCMMNOZMX-JLHYYAGUSA-N 0 0 379.441 4.933 50 5 GJBARN CC(C)(C)c1ccc(/C=C2\N=C(/C=C/c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000004423516 570759755 /nfs/dbraw/zinc/75/97/55/570759755.db2.gz INBCGTZLSWLHOP-ILPOUQNUSA-N 0 0 376.412 4.902 50 5 GJBARN CCCCN(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000025607052 570793768 /nfs/dbraw/zinc/79/37/68/570793768.db2.gz SQORRTZQKIYPMC-UHFFFAOYSA-N 0 0 375.856 4.732 50 5 GJBARN Cn1c(-c2ccc(Br)cc2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000004678288 570824104 /nfs/dbraw/zinc/82/41/04/570824104.db2.gz UCCSQUJKLKLDPS-UHFFFAOYSA-N 0 0 397.232 4.678 50 5 GJBARN COc1cc(OC)cc(-c2nnc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000007301950 570827583 /nfs/dbraw/zinc/82/75/83/570827583.db2.gz KWNSTOLGCNDSTK-NSHDSACASA-N 0 0 387.417 4.515 50 5 GJBARN COc1cc(OC)cc(-c2nnc(S[C@H](C)c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000007301951 570827602 /nfs/dbraw/zinc/82/76/02/570827602.db2.gz KWNSTOLGCNDSTK-LLVKDONJSA-N 0 0 387.417 4.515 50 5 GJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)c(Cl)c1 ZINC000004719180 570859225 /nfs/dbraw/zinc/85/92/25/570859225.db2.gz FOUXDWXBYKGCNF-UHFFFAOYSA-N 0 0 390.020 4.916 50 5 GJBARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000023113904 570906945 /nfs/dbraw/zinc/90/69/45/570906945.db2.gz CSBFZDQZRGLSLI-JTQLQIEISA-N 0 0 397.656 4.844 50 5 GJBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1csc(Nc2ccccc2)n1 ZINC000023136805 570916197 /nfs/dbraw/zinc/91/61/97/570916197.db2.gz CTDBIZUVZRWDDB-UHFFFAOYSA-N 0 0 397.441 4.657 50 5 GJBARN Cc1ccc(F)c([C@H](CC(=O)NCC(C)C)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000107076745 570970812 /nfs/dbraw/zinc/97/08/12/570970812.db2.gz GUZFBGSMKZBIIO-INIZCTEOSA-N 0 0 397.450 4.818 50 5 GJBARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000007654977 571011934 /nfs/dbraw/zinc/01/19/34/571011934.db2.gz SMOQPPRFMPMLHM-UHFFFAOYSA-N 0 0 390.754 4.708 50 5 GJBARN O=[N+]([O-])c1ccc([C@@H]2c3cccn3CCCN2Cc2c(F)cccc2F)cc1 ZINC000037523330 571024443 /nfs/dbraw/zinc/02/44/43/571024443.db2.gz VWQOEEXFQKUSKQ-OAQYLSRUSA-N 0 0 383.398 4.670 50 5 GJBARN Cc1ncsc1C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000089565486 230955621 /nfs/dbraw/zinc/95/56/21/230955621.db2.gz XKGYSUTWZGRELT-UHFFFAOYSA-N 0 0 377.472 4.825 50 5 GJBARN Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001471318 212247166 /nfs/dbraw/zinc/24/71/66/212247166.db2.gz RNBOBUGTNKDLBJ-UHFFFAOYSA-N 0 0 387.848 4.901 50 5 GJBARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000001226962 212231240 /nfs/dbraw/zinc/23/12/40/212231240.db2.gz IAAXHZKFFVTTCQ-UHFFFAOYSA-N 0 0 389.127 4.628 50 5 GJBARN CSc1sc(C(=O)c2cccc([N+](=O)[O-])c2)c2c1C(=O)CC(C)(C)C2 ZINC000001037780 212208753 /nfs/dbraw/zinc/20/87/53/212208753.db2.gz LMXYGPDCJYITHO-UHFFFAOYSA-N 0 0 375.471 4.764 50 5 GJBARN O=c1c2c(-c3cccc([N+](=O)[O-])c3)csc2ncn1Cc1ccccc1Cl ZINC000000951900 212199818 /nfs/dbraw/zinc/19/98/18/212199818.db2.gz UADAJLKSOAMIIC-UHFFFAOYSA-N 0 0 397.843 4.735 50 5 GJBARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000000955641 212199678 /nfs/dbraw/zinc/19/96/78/212199678.db2.gz KGRKYAKMGKZZEB-UHFFFAOYSA-N 0 0 397.843 4.735 50 5 GJBARN Cc1cc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)ccc1[N+](=O)[O-] ZINC000000820942 212185324 /nfs/dbraw/zinc/18/53/24/212185324.db2.gz REVHPYZLVFSXJI-UHFFFAOYSA-N 0 0 387.395 4.888 50 5 GJBARN O=c1c2ccccc2c2nc3c4ccccc4c(=O)c3c(-c3ccc(O)cc3)c12 ZINC000000629680 212167011 /nfs/dbraw/zinc/16/70/11/212167011.db2.gz GIVQKVWIDSVTRZ-UHFFFAOYSA-N 0 0 375.383 4.663 50 5 GJBARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1[N+](=O)[O-] ZINC000000828024 206325829 /nfs/dbraw/zinc/32/58/29/206325829.db2.gz ATINTRZEWHPCEG-UHFFFAOYSA-N 0 0 388.383 4.667 50 5 GJBARN O=C(Nc1ccc(Br)cc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000000845983 206326045 /nfs/dbraw/zinc/32/60/45/206326045.db2.gz LOMIIZGCZXOUQE-UHFFFAOYSA-N 0 0 394.224 4.961 50 5 GJBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000984153 206338309 /nfs/dbraw/zinc/33/83/09/206338309.db2.gz ATSJQOMFTQDHIE-UHFFFAOYSA-N 0 0 386.285 4.567 50 5 GJBARN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001108316 206353310 /nfs/dbraw/zinc/35/33/10/206353310.db2.gz YZJDSYDOPXQUAR-MRXNPFEDSA-N 0 0 376.412 4.916 50 5 GJBARN Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000001116146 206355070 /nfs/dbraw/zinc/35/50/70/206355070.db2.gz XVJKVXHCZUWDSI-UHFFFAOYSA-N 0 0 390.395 4.513 50 5 GJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Oc1cc(C)c(Br)c(C)c1 ZINC000001560687 206385485 /nfs/dbraw/zinc/38/54/85/206385485.db2.gz HQJIHZDOKUMALB-UHFFFAOYSA-N 0 0 379.210 4.893 50 5 GJBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000001206530 206366051 /nfs/dbraw/zinc/36/60/51/206366051.db2.gz SQPWYNBJRBAXEQ-UHFFFAOYSA-N 0 0 389.440 4.530 50 5 GJBARN COc1cccc(-c2c3c(nc4c5ccccc5c(=O)c42)c2ccccc2c3=O)c1 ZINC000002026776 206395495 /nfs/dbraw/zinc/39/54/95/206395495.db2.gz YDAFUJNACUINBU-UHFFFAOYSA-N 0 0 389.410 4.966 50 5 GJBARN CCCCn1c(=O)c2c(=O)c3cc(Cl)ccc3oc2nc1-c1ccccc1F ZINC000002441294 206416949 /nfs/dbraw/zinc/41/69/49/206416949.db2.gz KJVBQALSEYCJPB-UHFFFAOYSA-N 0 0 398.821 4.763 50 5 GJBARN Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000002836777 206439426 /nfs/dbraw/zinc/43/94/26/206439426.db2.gz XLHSZZAMCFFFJW-UHFFFAOYSA-N 0 0 395.271 4.989 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(-c2ccccc2)cc1 ZINC000003332650 206471429 /nfs/dbraw/zinc/47/14/29/206471429.db2.gz WYPHLDFUBUONEK-HNNXBMFYSA-N 0 0 391.427 4.710 50 5 GJBARN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835562 207063640 /nfs/dbraw/zinc/06/36/40/207063640.db2.gz XFNNZVHLPCFHJN-HXUWFJFHSA-N 0 0 391.452 4.999 50 5 GJBARN COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000017076944 207082945 /nfs/dbraw/zinc/08/29/45/207082945.db2.gz RBBVJIWLTLLTHN-UHFFFAOYSA-N 0 0 376.412 4.764 50 5 GJBARN O=C(c1ccccc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020120427 207178748 /nfs/dbraw/zinc/17/87/48/207178748.db2.gz VXTSHYIRMLEKQO-QHCPKHFHSA-N 0 0 397.434 4.864 50 5 GJBARN O=[N+]([O-])c1ccc(Br)c(OCc2ccccc2C(F)(F)F)c1 ZINC000036719644 207535549 /nfs/dbraw/zinc/53/55/49/207535549.db2.gz IPVCOPRFRIWHJS-UHFFFAOYSA-N 0 0 376.128 4.955 50 5 GJBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccc(CO)c(F)c1 ZINC000058421721 207778929 /nfs/dbraw/zinc/77/89/29/207778929.db2.gz DXVSSCJLVLNKAS-UHFFFAOYSA-N 0 0 378.709 4.511 50 5 GJBARN CCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O ZINC000002312917 220522178 /nfs/dbraw/zinc/52/21/78/220522178.db2.gz FRKMOJFGGOKWAU-UHFFFAOYSA-N 0 0 397.482 4.782 50 5 GJBARN CCCCCCn1c2ncn([C@@H](C)CC)c(=O)c2c2nc3ccccc3nc21 ZINC000002419258 220532205 /nfs/dbraw/zinc/53/22/05/220532205.db2.gz DMYKBHZERKIKAI-HNNXBMFYSA-N 0 0 377.492 4.846 50 5 GJBARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002721067 220556785 /nfs/dbraw/zinc/55/67/85/220556785.db2.gz IYXOJTOXCDELMB-UHFFFAOYSA-N 0 0 389.864 4.560 50 5 GJBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1 ZINC000003139270 220606948 /nfs/dbraw/zinc/60/69/48/220606948.db2.gz OQYWRPRBTGRWID-QHCPKHFHSA-N 0 0 397.434 4.864 50 5 biogenic GJBARN Cc1cc(Cl)cc(Cl)c1CNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000008683582 221049433 /nfs/dbraw/zinc/04/94/33/221049433.db2.gz BBWQDSWOLYIUBL-UHFFFAOYSA-N 0 0 379.199 4.929 50 5 GJBARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000012556392 221207300 /nfs/dbraw/zinc/20/73/00/221207300.db2.gz FIKFHSQZRCXROC-NSHDSACASA-N 0 0 393.365 4.541 50 5 GJBARN COCc1nc2c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3ncn2n1 ZINC000013643986 221278457 /nfs/dbraw/zinc/27/84/57/221278457.db2.gz ZTOQEAYKGLXYLE-UHFFFAOYSA-N 0 0 397.410 4.638 50 5 GJBARN CC(C)(C)c1ccc(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn32)cc1 ZINC000013690521 221281772 /nfs/dbraw/zinc/28/17/72/221281772.db2.gz KDSGUYBHYMDKOQ-UHFFFAOYSA-N 0 0 379.445 4.726 50 5 GJBARN Cc1cccc(-c2noc(-c3ccc(NCc4ccccn4)c([N+](=O)[O-])c3)n2)c1 ZINC000015833770 221346993 /nfs/dbraw/zinc/34/69/93/221346993.db2.gz VKTIKSMLURQRBK-UHFFFAOYSA-N 0 0 387.399 4.627 50 5 GJBARN O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000017207858 221381201 /nfs/dbraw/zinc/38/12/01/221381201.db2.gz ZMUJSQUPWBKHBQ-JOCHJYFZSA-N 0 0 396.406 4.735 50 5 GJBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000026805877 221648233 /nfs/dbraw/zinc/64/82/33/221648233.db2.gz PSIBTWYGAVQNTF-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C(F)(F)F)c1 ZINC000060031320 222057468 /nfs/dbraw/zinc/05/74/68/222057468.db2.gz ZWMGDJLBPOOWMH-OAHLLOKOSA-N 0 0 394.349 4.726 50 5 GJBARN Cc1noc(C[C@@H](CC(=O)c2ccc(C)cc2)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000085413322 570226277 /nfs/dbraw/zinc/22/62/77/570226277.db2.gz ZEBBYYNOFNLLRS-QGZVFWFLSA-N 0 0 382.391 4.938 50 5 GJBARN COc1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 ZINC000006080609 570238109 /nfs/dbraw/zinc/23/81/09/570238109.db2.gz KZTCFXDGNJEVHT-UHFFFAOYSA-N 0 0 387.244 4.641 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000004833859 570306190 /nfs/dbraw/zinc/30/61/90/570306190.db2.gz NEYZOTQGXANSSO-UHFFFAOYSA-N 0 0 376.412 4.641 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NCCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000732321 570310643 /nfs/dbraw/zinc/31/06/43/570310643.db2.gz ZCFMMJMANBYRND-UHFFFAOYSA-N 0 0 376.412 4.955 50 5 GJBARN COc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000754260 570313216 /nfs/dbraw/zinc/31/32/16/570313216.db2.gz XZMLACTWMHHMBZ-UHFFFAOYSA-N 0 0 380.375 4.590 50 5 GJBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1-c1ccccc1 ZINC000004842127 570313384 /nfs/dbraw/zinc/31/33/84/570313384.db2.gz YJDFVGRNACXKFY-UHFFFAOYSA-N 0 0 382.803 4.933 50 5 GJBARN C[C@@H](c1cccs1)N(C)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000016273144 570321697 /nfs/dbraw/zinc/32/16/97/570321697.db2.gz MJIPZKPNXCNNOI-HNNXBMFYSA-N 0 0 387.505 4.870 50 5 GJBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(Cl)cc1 ZINC000003273257 570335232 /nfs/dbraw/zinc/33/52/32/570335232.db2.gz CCHAKDCTBHVPBR-UHFFFAOYSA-N 0 0 379.799 4.617 50 5 GJBARN COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)n2CC(C)C)cc1 ZINC000006256216 570350927 /nfs/dbraw/zinc/35/09/27/570350927.db2.gz GOXALZDZGGOXAF-UHFFFAOYSA-N 0 0 398.488 4.810 50 5 GJBARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc12 ZINC000005021004 570398095 /nfs/dbraw/zinc/39/80/95/570398095.db2.gz YRSSFABTKLOFNT-UHFFFAOYSA-N 0 0 396.403 4.695 50 5 GJBARN Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000005034676 570403273 /nfs/dbraw/zinc/40/32/73/570403273.db2.gz FOXLSXDRNAJSKT-NTEUORMPSA-N 0 0 383.407 4.773 50 5 GJBARN COP(=O)(OC)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC000005060027 570406883 /nfs/dbraw/zinc/40/68/83/570406883.db2.gz VSNXSESASMGADA-QGZVFWFLSA-N 0 0 375.321 4.673 50 5 GJBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000005102157 570417759 /nfs/dbraw/zinc/41/77/59/570417759.db2.gz CAULTRQMBAHRQM-NTCAYCPXSA-N 0 0 383.407 4.523 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cc(Cl)ccc1Cl ZINC000005103613 570419074 /nfs/dbraw/zinc/41/90/74/570419074.db2.gz DTFMFJJVBWBPDP-UHFFFAOYSA-N 0 0 387.244 4.641 50 5 GJBARN CCCCCCC(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000027016220 570493562 /nfs/dbraw/zinc/49/35/62/570493562.db2.gz MEUSPYMAWZXRSX-AWEZNQCLSA-N 0 0 397.686 4.757 50 5 GJBARN O=[N+]([O-])c1cccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)c1 ZINC000005261890 570531679 /nfs/dbraw/zinc/53/16/79/570531679.db2.gz QOLKQUXCDBZYPM-UHFFFAOYSA-N 0 0 388.427 4.626 50 5 GJBARN Cc1cccc([C@@H](C)N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247712 570581667 /nfs/dbraw/zinc/58/16/67/570581667.db2.gz GAVFKUHDCUCNKZ-QGZVFWFLSA-N 0 0 396.468 4.860 50 5 GJBARN CCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1cccc([N+](=O)[O-])c1 ZINC000006837002 570639661 /nfs/dbraw/zinc/63/96/61/570639661.db2.gz WUIZXBTVAYWTMU-IBGZPJMESA-N 0 0 379.460 4.687 50 5 GJBARN O=C(c1ccccc1)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000015169491 570786638 /nfs/dbraw/zinc/78/66/38/570786638.db2.gz VCFWPTWJKHKNAL-OAHLLOKOSA-N 0 0 378.350 4.605 50 5 GJBARN Cc1nn(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000025593922 570793120 /nfs/dbraw/zinc/79/31/20/570793120.db2.gz SLZRKIAOHMVJNC-UHFFFAOYSA-N 0 0 395.850 4.508 50 5 GJBARN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(Cl)c1 ZINC000032787357 570809877 /nfs/dbraw/zinc/80/98/77/570809877.db2.gz GMBMHBVRBQPWON-VIFPVBQESA-N 0 0 378.215 4.874 50 5 GJBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000031953618 570927108 /nfs/dbraw/zinc/92/71/08/570927108.db2.gz MBLJEHSXXAHOEE-VIFPVBQESA-N 0 0 388.729 4.638 50 5 GJBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)nc21 ZINC000004070151 570928250 /nfs/dbraw/zinc/92/82/50/570928250.db2.gz ICIAHXFCOPIEOU-UHFFFAOYSA-N 0 0 398.227 4.772 50 5 GJBARN Cc1cccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])C2)c1 ZINC000252482377 570968548 /nfs/dbraw/zinc/96/85/48/570968548.db2.gz DEBDPZLGYZUWBL-QFIPXVFZSA-N 0 0 385.423 4.895 50 5 GJBARN O=[N+]([O-])c1cccc(F)c1CN(Cc1nc(C2CCCCCC2)no1)C1CC1 ZINC000089768118 230956789 /nfs/dbraw/zinc/95/67/89/230956789.db2.gz LVQOPBLHDKQHHB-UHFFFAOYSA-N 0 0 388.443 4.719 50 5 GJBARN CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 ZINC000001244321 212232032 /nfs/dbraw/zinc/23/20/32/212232032.db2.gz VUKMHURDNOPCCG-UHFFFAOYSA-N 0 0 389.509 4.765 50 5 GJBARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1cccc([N+](=O)[O-])c1 ZINC000001230537 212231258 /nfs/dbraw/zinc/23/12/58/212231258.db2.gz IUTFAHYOBQXYLX-UHFFFAOYSA-N 0 0 379.850 4.589 50 5 GJBARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001219131 212230882 /nfs/dbraw/zinc/23/08/82/212230882.db2.gz TVHTWJOJOGWUQE-HXUWFJFHSA-N 0 0 377.400 4.831 50 5 GJBARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001217005 212229881 /nfs/dbraw/zinc/22/98/81/212229881.db2.gz JJYXUMVWQOZYGZ-UHFFFAOYSA-N 0 0 394.774 4.704 50 5 GJBARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001166194 212224983 /nfs/dbraw/zinc/22/49/83/212224983.db2.gz GWHDITZRBZIRJT-UHFFFAOYSA-N 0 0 380.231 4.754 50 5 GJBARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001151285 212223002 /nfs/dbraw/zinc/22/30/02/212223002.db2.gz WXPCLZDIZNSAFX-UHFFFAOYSA-N 0 0 389.622 4.881 50 5 GJBARN CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccc(Cl)cc1Cl ZINC000001119143 212219440 /nfs/dbraw/zinc/21/94/40/212219440.db2.gz AVUHAVSSIJCYPI-UHFFFAOYSA-N 0 0 396.259 4.726 50 5 GJBARN O=C(Nc1ccc(Cl)cc1F)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000001083440 212215255 /nfs/dbraw/zinc/21/52/55/212215255.db2.gz LICSXYAYIPHQSY-UHFFFAOYSA-N 0 0 390.754 4.812 50 5 GJBARN O=C(Nc1ccc(Cl)cc1)n1nccc1-c1ccc([N+](=O)[O-])cc1Cl ZINC000001040569 212208132 /nfs/dbraw/zinc/20/81/32/212208132.db2.gz SLWJHSANNAJFIQ-UHFFFAOYSA-N 0 0 377.187 4.845 50 5 GJBARN CCc1ccc(-c2csc3ncn(Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 ZINC000000959712 212200364 /nfs/dbraw/zinc/20/03/64/212200364.db2.gz ZPVPDTQRTVUPMR-UHFFFAOYSA-N 0 0 391.452 4.644 50 5 GJBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)oc2c(C)c1 ZINC000000830441 212187116 /nfs/dbraw/zinc/18/71/16/212187116.db2.gz HFHJEQYHKQJNDM-UHFFFAOYSA-N 0 0 377.356 4.865 50 5 GJBARN O=C1c2ccccc2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000828645 212186494 /nfs/dbraw/zinc/18/64/94/212186494.db2.gz MLFHMOWTIUZJQU-UHFFFAOYSA-N 0 0 376.393 4.547 50 5 GJBARN COC(=O)c1cc(COc2ccc3c4ccccc4c(=O)oc3c2C)c(C)o1 ZINC000001149910 212145207 /nfs/dbraw/zinc/14/52/07/212145207.db2.gz HETVBKYSGRYELE-UHFFFAOYSA-N 0 0 378.380 4.522 50 5 biogenic GJBARN Cc1ccc(C(=O)[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000001106165 209114799 /nfs/dbraw/zinc/11/47/99/209114799.db2.gz NXAOREXTHOTCAF-QHCPKHFHSA-N 0 0 389.407 4.613 50 5 GJBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NC4CCCCCC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343086 206281758 /nfs/dbraw/zinc/28/17/58/206281758.db2.gz FAXWUUWAIQZUPA-JLSDUUJJSA-N 0 0 399.491 4.655 50 5 GJBARN COc1ccc(OC)c(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 ZINC000000696009 206317854 /nfs/dbraw/zinc/31/78/54/206317854.db2.gz QSRJQRBDJLLMIU-UHFFFAOYSA-N 0 0 392.820 4.732 50 5 GJBARN O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc21 ZINC000000975779 206338065 /nfs/dbraw/zinc/33/80/65/206338065.db2.gz HPWQDDLOXHUOOD-UNOMPAQXSA-N 0 0 390.420 4.985 50 5 GJBARN Cc1cc(C)c(CSC(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000001392495 206378267 /nfs/dbraw/zinc/37/82/67/206378267.db2.gz ZJENFHXZUJSIBP-UHFFFAOYSA-N 0 0 386.517 4.962 50 5 GJBARN Cn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21 ZINC000001452081 206382812 /nfs/dbraw/zinc/38/28/12/206382812.db2.gz GHIAWLBXHMACKC-UHFFFAOYSA-N 0 0 391.066 4.800 50 5 GJBARN O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001151172 206359630 /nfs/dbraw/zinc/35/96/30/206359630.db2.gz VPPRBUVBKHORGO-OAHLLOKOSA-N 0 0 383.454 4.709 50 5 GJBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001741737 206390615 /nfs/dbraw/zinc/39/06/15/206390615.db2.gz PBGMZIJWHQNIQD-IBGZPJMESA-N 0 0 379.391 4.839 50 5 GJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@H](O)c1ccccc1)C1CCCCC1 ZINC000002034913 206396443 /nfs/dbraw/zinc/39/64/43/206396443.db2.gz FILHDMWYRWOWOW-NRFANRHFSA-N 0 0 397.475 4.803 50 5 GJBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000002089814 206397993 /nfs/dbraw/zinc/39/79/93/206397993.db2.gz PBPQOLGBNTYVTD-UHFFFAOYSA-N 0 0 395.755 4.763 50 5 GJBARN CCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000002202745 206401807 /nfs/dbraw/zinc/40/18/07/206401807.db2.gz CTCQVIRHVOUBTC-UHFFFAOYSA-N 0 0 378.476 4.932 50 5 GJBARN Cc1ccc(-n2c3nc4ccccc4nc3c3c2nc(C)n(CC(C)C)c3=O)cc1 ZINC000002250935 206404953 /nfs/dbraw/zinc/40/49/53/206404953.db2.gz LRLHKRYWQADNJN-UHFFFAOYSA-N 0 0 397.482 4.556 50 5 GJBARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2CCC(C)C)c1=O ZINC000002430697 206416868 /nfs/dbraw/zinc/41/68/68/206416868.db2.gz NQKXHTAVGPWPKB-UHFFFAOYSA-N 0 0 391.519 4.921 50 5 GJBARN CCOC(=O)c1c2ccccc2sc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000002749920 206432365 /nfs/dbraw/zinc/43/23/65/206432365.db2.gz UNOPEQSDKSGZLH-FMIVXFBMSA-N 0 0 396.424 4.638 50 5 GJBARN CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1NC(C)=O ZINC000003617457 206488935 /nfs/dbraw/zinc/48/89/35/206488935.db2.gz RIPZRJFTUHMCMW-UHFFFAOYSA-N 0 0 396.490 4.693 50 5 GJBARN COc1ccc(-c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 ZINC000007466830 206714078 /nfs/dbraw/zinc/71/40/78/206714078.db2.gz GZMRVVHHVJIVGR-UHFFFAOYSA-N 0 0 397.334 4.823 50 5 GJBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000009426170 206787350 /nfs/dbraw/zinc/78/73/50/206787350.db2.gz HYNXEAHJIQGMHB-UHFFFAOYSA-N 0 0 379.328 4.548 50 5 GJBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015539099 207053160 /nfs/dbraw/zinc/05/31/60/207053160.db2.gz DMZPOJKNKGWJDG-CQSZACIVSA-N 0 0 387.848 4.835 50 5 GJBARN CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000015601740 207053247 /nfs/dbraw/zinc/05/32/47/207053247.db2.gz YYVIVJGBFJEPTO-UHFFFAOYSA-N 0 0 388.729 4.918 50 5 GJBARN CCOc1ccc2c(c1)N=C(c1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)=N2 ZINC000020447185 207193610 /nfs/dbraw/zinc/19/36/10/207193610.db2.gz AHZZDZAVKMOOJY-UHFFFAOYSA-N 0 0 386.411 4.944 50 5 GJBARN Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000023011375 207266579 /nfs/dbraw/zinc/26/65/79/207266579.db2.gz WJYINWQAFHSQFF-UHFFFAOYSA-N 0 0 390.399 4.800 50 5 GJBARN Cc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000024753682 207295185 /nfs/dbraw/zinc/29/51/85/207295185.db2.gz LUALEMQRFXQPMI-UHFFFAOYSA-N 0 0 392.459 4.698 50 5 GJBARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000085412042 208099517 /nfs/dbraw/zinc/09/95/17/208099517.db2.gz DYZUKFWUXSLSEX-KRWDZBQOSA-N 0 0 386.477 4.866 50 5 GJBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Cl)cc3Cl)=Nc3ncnn32)c1 ZINC000101078925 208385050 /nfs/dbraw/zinc/38/50/50/208385050.db2.gz IYTKAZQZJXDTKQ-INIZCTEOSA-N 0 0 388.214 4.549 50 5 GJBARN Cc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)sc2nc(-c3ccccc3)cn12 ZINC000015786511 208795089 /nfs/dbraw/zinc/79/50/89/208795089.db2.gz PXMRZTWRMZKBSI-UHFFFAOYSA-N 0 0 396.403 4.671 50 5 GJBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(CCc1cccc(F)c1)CO2 ZINC000020610075 208816005 /nfs/dbraw/zinc/81/60/05/208816005.db2.gz PUWZVRXFQSCHJN-UHFFFAOYSA-N 0 0 389.426 4.788 50 5 biogenic GJBARN O=c1c2c3nc4ccccc4nc3n(-c3ccccc3)c2ncn1C1CCCCC1 ZINC000002312860 220521982 /nfs/dbraw/zinc/52/19/82/220521982.db2.gz JROUWYKZLPHKDP-UHFFFAOYSA-N 0 0 395.466 4.789 50 5 GJBARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002742592 220560063 /nfs/dbraw/zinc/56/00/63/220560063.db2.gz LGCRLVBQLCTATB-QMMMGPOBSA-N 0 0 389.622 4.961 50 5 GJBARN COc1ccccc1Oc1cc(NC(=O)c2ccccc2C)cc([N+](=O)[O-])c1 ZINC000002795441 220567224 /nfs/dbraw/zinc/56/72/24/220567224.db2.gz PKETXGJFRDLPMR-UHFFFAOYSA-N 0 0 378.384 4.956 50 5 GJBARN CCCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002826967 220572082 /nfs/dbraw/zinc/57/20/82/220572082.db2.gz UAVNYNWOQRYWDN-UHFFFAOYSA-N 0 0 375.812 4.629 50 5 GJBARN Cc1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000003131793 220605221 /nfs/dbraw/zinc/60/52/21/220605221.db2.gz PNCRRCBAJAQKED-UHFFFAOYSA-N 0 0 396.635 4.631 50 5 GJBARN O=c1cc(Nc2cccc([N+](=O)[O-])c2)[nH]n1-c1c(Cl)cc(Cl)cc1Cl ZINC000004108447 220682031 /nfs/dbraw/zinc/68/20/31/220682031.db2.gz OWDMXAKKMUMBJI-UHFFFAOYSA-N 0 0 399.621 4.717 50 5 GJBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\C(Cl)=C\c1ccccc1 ZINC000004644597 220740702 /nfs/dbraw/zinc/74/07/02/220740702.db2.gz LHRYRVNRXLJKPU-FNOQKXNMSA-N 0 0 389.194 4.715 50 5 GJBARN O=c1c2ccccc2nc(/C=C/c2ccco2)n1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005500877 220877681 /nfs/dbraw/zinc/87/76/81/220877681.db2.gz KZVSJPRYEIOXLL-CSKARUKUSA-N 0 0 393.786 4.711 50 5 GJBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000005869406 220904145 /nfs/dbraw/zinc/90/41/45/220904145.db2.gz MNCUIAVOLJVMEB-SECBINFHSA-N 0 0 388.729 4.673 50 5 GJBARN COc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1[N+](=O)[O-] ZINC000006216495 220923812 /nfs/dbraw/zinc/92/38/12/220923812.db2.gz SLSHUJLTWVRWDU-UHFFFAOYSA-N 0 0 383.429 4.596 50 5 GJBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OCCOc2ccccc2)cc1 ZINC000008105388 221027093 /nfs/dbraw/zinc/02/70/93/221027093.db2.gz QIYDUYPDBJMNPU-UHFFFAOYSA-N 0 0 392.411 4.613 50 5 GJBARN Cc1c(NC(=O)c2ccccc2OCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000008158135 221029405 /nfs/dbraw/zinc/02/94/05/221029405.db2.gz BENXZJMDPFVZKO-UHFFFAOYSA-N 0 0 392.411 4.613 50 5 GJBARN C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000008239298 221032946 /nfs/dbraw/zinc/03/29/46/221032946.db2.gz YVRUPDSJNLNMER-SNVBAGLBSA-N 0 0 389.205 4.595 50 5 GJBARN COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)c(OC)c1 ZINC000012636504 221216770 /nfs/dbraw/zinc/21/67/70/221216770.db2.gz ZWUXYDJZVSWVHE-GOSISDBHSA-N 0 0 379.416 4.502 50 5 GJBARN Cc1ccc(Nc2cc(N3CCCCC3)c3nonc3c2[N+](=O)[O-])cc1Cl ZINC000027532386 221654161 /nfs/dbraw/zinc/65/41/61/221654161.db2.gz RIVCYSSOAVDRJM-UHFFFAOYSA-N 0 0 387.827 4.827 50 5 GJBARN CC(=O)c1ccc(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000043191279 221949048 /nfs/dbraw/zinc/94/90/48/221949048.db2.gz CGGLMNUQBLNXKF-UHFFFAOYSA-N 0 0 375.380 4.992 50 5 GJBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1coc(-c2ccccc2)n1 ZINC000058158948 222040911 /nfs/dbraw/zinc/04/09/11/222040911.db2.gz QMXFSNXASFVKHZ-UHFFFAOYSA-N 0 0 377.322 4.923 50 5 GJBARN COc1ccc(-c2n[nH]cc2C=Cc2nc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000065549132 222133624 /nfs/dbraw/zinc/13/36/24/222133624.db2.gz FKLAOOVCIUJSAH-RUDMXATFSA-N 0 0 378.413 4.774 50 5 GJBARN C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000048302178 570234327 /nfs/dbraw/zinc/23/43/27/570234327.db2.gz OPNSVEDXZDMBMU-MRXNPFEDSA-N 0 0 376.412 4.665 50 5 GJBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000043192556 570282721 /nfs/dbraw/zinc/28/27/21/570282721.db2.gz SWRCBVGEQHZQQY-NSHDSACASA-N 0 0 383.326 4.718 50 5 GJBARN COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2OC32CCCCC2)cc1 ZINC000004887802 570356263 /nfs/dbraw/zinc/35/62/63/570356263.db2.gz AHVCUSDAPFIPHK-HXUWFJFHSA-N 0 0 393.443 4.807 50 5 GJBARN CCOc1cc2c(cc1OCC)[C@H](c1cc([N+](=O)[O-])ccc1Cl)CC(=O)N2 ZINC000004915109 570364137 /nfs/dbraw/zinc/36/41/37/570364137.db2.gz QGPBAVOHLVKARO-LBPRGKRZSA-N 0 0 390.823 4.520 50 5 GJBARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000026603724 570387711 /nfs/dbraw/zinc/38/77/11/570387711.db2.gz LUEVDLSNGGCPGE-KRWDZBQOSA-N 0 0 394.258 4.505 50 5 GJBARN Cc1cccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 ZINC000005021704 570398279 /nfs/dbraw/zinc/39/82/79/570398279.db2.gz XNCWCKXJFYDVEP-UHFFFAOYSA-N 0 0 381.395 4.852 50 5 aggregator GJBARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000005046968 570404658 /nfs/dbraw/zinc/40/46/58/570404658.db2.gz IIJIZUNVXKKTPX-UHFFFAOYSA-N 0 0 377.331 4.794 50 5 GJBARN O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2F)cc1 ZINC000005053737 570408430 /nfs/dbraw/zinc/40/84/30/570408430.db2.gz ILVZZRQRXKLDRW-UHFFFAOYSA-N 0 0 385.358 4.683 50 5 GJBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(Cl)cc1 ZINC000006720338 570490291 /nfs/dbraw/zinc/49/02/91/570490291.db2.gz RACKWXRZMQMIPK-UHFFFAOYSA-N 0 0 376.843 4.755 50 5 GJBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2CCc2ccccc2)c1=O ZINC000005180259 570495120 /nfs/dbraw/zinc/49/51/20/570495120.db2.gz LHZRSJFDWRSZJL-INIZCTEOSA-N 0 0 397.482 4.508 50 5 GJBARN CCN1C(=O)c2cccc3c2c1ccc3NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005193321 570499712 /nfs/dbraw/zinc/49/97/12/570499712.db2.gz KRJLQJLRBJTNIE-UHFFFAOYSA-N 0 0 395.802 4.634 50 5 GJBARN O=C(COc1ccc(Cl)cc1)Nc1ccc2c(=O)c3cccc(F)c3oc2c1 ZINC000006660670 570524477 /nfs/dbraw/zinc/52/44/77/570524477.db2.gz LAGWBWZBHVWODT-UHFFFAOYSA-N 0 0 397.789 4.756 50 5 GJBARN O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1)NCc1ccco1 ZINC000006733962 570558597 /nfs/dbraw/zinc/55/85/97/570558597.db2.gz RXUYEFLNCADPMD-IBGZPJMESA-N 0 0 389.411 4.508 50 5 GJBARN O=c1c2ccccc2oc2cc(OCc3cccc(Br)c3)cc(O)c12 ZINC000005443204 570594912 /nfs/dbraw/zinc/59/49/12/570594912.db2.gz SINLXOUWEISOKB-UHFFFAOYSA-N 0 0 397.224 4.993 50 5 GJBARN CC(C)(C)c1ccc(-c2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)cc1 ZINC000005518569 570621470 /nfs/dbraw/zinc/62/14/70/570621470.db2.gz DLEOUPLTHPCVHW-UHFFFAOYSA-N 0 0 393.472 4.509 50 5 GJBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(COc3cccc(Cl)c3)nc12 ZINC000033027821 570665665 /nfs/dbraw/zinc/66/56/65/570665665.db2.gz KJGJNSPCFIMKKN-UHFFFAOYSA-N 0 0 395.875 4.736 50 5 GJBARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000052537468 570752706 /nfs/dbraw/zinc/75/27/06/570752706.db2.gz XMBJEEIWJKXAGN-UHFFFAOYSA-N 0 0 395.846 4.566 50 5 GJBARN Cc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000032772706 570805715 /nfs/dbraw/zinc/80/57/15/570805715.db2.gz CJYVXBQKHVAQAK-KRWDZBQOSA-N 0 0 381.457 4.880 50 5 GJBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1F ZINC000004659480 570809755 /nfs/dbraw/zinc/80/97/55/570809755.db2.gz QOBXYDKUNQEFLO-OUKQBFOZSA-N 0 0 387.370 4.603 50 5 GJBARN CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC000006022835 570814703 /nfs/dbraw/zinc/81/47/03/570814703.db2.gz HVDMMYYNDDHLNW-UHFFFAOYSA-N 0 0 395.503 4.582 50 5 GJBARN O=[N+]([O-])c1cc(CSCc2cccc(Br)c2)c2c(c1)COCO2 ZINC000032794341 570814770 /nfs/dbraw/zinc/81/47/70/570814770.db2.gz BFKHWBYUJDAUJH-UHFFFAOYSA-N 0 0 396.262 4.657 50 5 GJBARN Cc1c(C(=O)N(CCc2cccs2)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000037117710 570839870 /nfs/dbraw/zinc/83/98/70/570839870.db2.gz LMZZJDBKJLMCRQ-UHFFFAOYSA-N 0 0 386.498 4.911 50 5 GJBARN CCc1c2cc(C)c(C)cc2oc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000526052234 570845607 /nfs/dbraw/zinc/84/56/07/570845607.db2.gz HQEGAMYZBAFUQM-UHFFFAOYSA-N 0 0 396.399 4.559 50 5 GJBARN CCSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102664929 570856399 /nfs/dbraw/zinc/85/63/99/570856399.db2.gz APKJKYYQRLMXLH-MRXNPFEDSA-N 0 0 399.476 4.606 50 5 GJBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccco1)Cc1cccs1 ZINC000024458984 570871765 /nfs/dbraw/zinc/87/17/65/570871765.db2.gz FOPKJLZRDQIARC-UHFFFAOYSA-N 0 0 376.821 4.745 50 5 GJBARN CC(C)c1noc(CSc2nc3ccccc3c3nc4ccccc4n32)n1 ZINC000032905130 570903889 /nfs/dbraw/zinc/90/38/89/570903889.db2.gz KMPCLLNQUYIGTA-UHFFFAOYSA-N 0 0 375.457 4.834 50 5 GJBARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004740448 570906298 /nfs/dbraw/zinc/90/62/98/570906298.db2.gz OXSTVHDAJFXRHR-UHFFFAOYSA-N 0 0 389.839 4.875 50 5 GJBARN O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000004590253 570925569 /nfs/dbraw/zinc/92/55/69/570925569.db2.gz VQDGNOOOZVIXRK-ZLRVCTSNSA-N 0 0 389.194 4.911 50 5 GJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Oc1cc(C)c(Br)cc1C ZINC000002156121 570972534 /nfs/dbraw/zinc/97/25/34/570972534.db2.gz YUZIUAZGAFVFQE-UHFFFAOYSA-N 0 0 379.210 4.893 50 5 GJBARN Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)sc1Cc1ccccc1 ZINC000004810012 570995595 /nfs/dbraw/zinc/99/55/95/570995595.db2.gz GKOOTBKLLJNYCK-UHFFFAOYSA-N 0 0 399.497 4.681 50 5 GJBARN O=[N+]([O-])c1ccc([C@H]2c3cccn3CCCN2Cc2c(F)cccc2F)cc1 ZINC000037523329 571024472 /nfs/dbraw/zinc/02/44/72/571024472.db2.gz VWQOEEXFQKUSKQ-NRFANRHFSA-N 0 0 383.398 4.670 50 5 GJBARN CC(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)(c1ccccc1)c1ccccc1 ZINC000012775586 571029074 /nfs/dbraw/zinc/02/90/74/571029074.db2.gz DJESOVNBDUGJPB-UHFFFAOYSA-N 0 0 394.858 4.984 50 5 GJBARN CCc1cc(N2CCc3sccc3[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905173 529535792 /nfs/dbraw/zinc/53/57/92/529535792.db2.gz BQZUFLCNHQULCV-CYBMUJFWSA-N 0 0 380.473 4.799 50 5 GJBARN CC(=O)Nc1nc(-c2cccc3ccccc32)nc2c3ccccc3oc(=O)c12 ZINC000226758454 222707443 /nfs/dbraw/zinc/70/74/43/222707443.db2.gz UGACTSRHBZDFNS-UHFFFAOYSA-N 0 0 381.391 4.515 50 5 GJBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc4ccccc4c3)nc21 ZINC000001518247 212248836 /nfs/dbraw/zinc/24/88/36/212248836.db2.gz WLZBPKIRXUQKHB-UHFFFAOYSA-N 0 0 379.397 4.619 50 5 GJBARN O=[N+]([O-])C[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000001463191 212246799 /nfs/dbraw/zinc/24/67/99/212246799.db2.gz YMCKYFOWGLHVHB-GOSISDBHSA-N 0 0 386.407 4.972 50 5 GJBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc2ccccc2c1 ZINC000001295469 212233411 /nfs/dbraw/zinc/23/34/11/212233411.db2.gz XJUFFKKVFOAZSJ-YVLHZVERSA-N 0 0 378.771 4.746 50 5 GJBARN O=C(Nc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000001135577 212221998 /nfs/dbraw/zinc/22/19/98/212221998.db2.gz VFYQTGOQVDBKGP-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000001052110 212211507 /nfs/dbraw/zinc/21/15/07/212211507.db2.gz BVKUHDMEYMKLOL-UHFFFAOYSA-N 0 0 389.770 4.911 50 5 GJBARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000949289 212198150 /nfs/dbraw/zinc/19/81/50/212198150.db2.gz OUPDIHWFPVJFFP-UHFFFAOYSA-N 0 0 396.424 4.752 50 5 GJBARN CCOc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)cc1 ZINC000000877721 212192572 /nfs/dbraw/zinc/19/25/72/212192572.db2.gz RVFSKZMHFRAFCA-UHFFFAOYSA-N 0 0 383.429 4.678 50 5 GJBARN COc1ccc2oc(=O)c(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2c1 ZINC000000846070 212188150 /nfs/dbraw/zinc/18/81/50/212188150.db2.gz SFJITPUJDQAWTO-UHFFFAOYSA-N 0 0 380.381 4.500 50 5 GJBARN Brc1c(-c2ccccc2)nn2c1nnc1c3ccccc3ccc12 ZINC000000704308 212175582 /nfs/dbraw/zinc/17/55/82/212175582.db2.gz FYOYZUSNWOLGFS-UHFFFAOYSA-N 0 0 375.229 4.860 50 5 GJBARN CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCc3ccccc3)c2c1N ZINC000000652380 212169401 /nfs/dbraw/zinc/16/94/01/212169401.db2.gz IVFOQICEKCFPFR-UHFFFAOYSA-N 0 0 388.470 4.861 50 5 GJBARN O=C(COc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccc(Cl)cc1 ZINC000004084020 212146425 /nfs/dbraw/zinc/14/64/25/212146425.db2.gz QVLVJXZPEDCHRF-UHFFFAOYSA-N 0 0 380.783 4.567 50 5 biogenic GJBARN CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ccc(C(C)(C)C)cc12 ZINC000004542456 212079229 /nfs/dbraw/zinc/07/92/29/212079229.db2.gz DKIZNCIQHPXWMR-UHFFFAOYSA-N 0 0 394.427 4.553 50 5 GJBARN CC(=O)c1cccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000001167895 209116264 /nfs/dbraw/zinc/11/62/64/209116264.db2.gz CSVXXGIAFAQUAU-UHFFFAOYSA-N 0 0 377.352 4.809 50 5 GJBARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C(C)(C)C)c1 ZINC000000947365 206337324 /nfs/dbraw/zinc/33/73/24/206337324.db2.gz MBIILERQYLWSCQ-UHFFFAOYSA-N 0 0 376.840 4.872 50 5 GJBARN O=C(Nc1ccccc1C(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001081654 206350863 /nfs/dbraw/zinc/35/08/63/206350863.db2.gz HJZOTONIBNYOOX-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001182874 206364377 /nfs/dbraw/zinc/36/43/77/206364377.db2.gz ZJAZWWGTAPEYTP-UHFFFAOYSA-N 0 0 394.774 4.704 50 5 GJBARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1[N+](=O)[O-] ZINC000001211099 206367529 /nfs/dbraw/zinc/36/75/29/206367529.db2.gz GRBORWAAUTWVSF-UHFFFAOYSA-N 0 0 389.411 4.716 50 5 GJBARN O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1Cl ZINC000001219044 206369195 /nfs/dbraw/zinc/36/91/95/206369195.db2.gz HBXREDQMILCMTN-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN Cc1occc1-c1nnc2sc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nn21 ZINC000002706906 206429851 /nfs/dbraw/zinc/42/98/51/206429851.db2.gz YFBFFLLRLGZFIW-UHFFFAOYSA-N 0 0 393.384 4.589 50 5 GJBARN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000004573151 206530228 /nfs/dbraw/zinc/53/02/28/206530228.db2.gz RHABBXRPWCSIIE-INIZCTEOSA-N 0 0 396.468 4.610 50 5 GJBARN Cc1cccc(NC(=O)c2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)c1 ZINC000004668161 206538333 /nfs/dbraw/zinc/53/83/33/206538333.db2.gz OZBZIWVOVGXLRS-UHFFFAOYSA-N 0 0 387.439 4.718 50 5 GJBARN O=C(CSc1nc2ccccc2o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000004810326 206556122 /nfs/dbraw/zinc/55/61/22/206556122.db2.gz UFZQNJFZVOVHJB-UHFFFAOYSA-N 0 0 380.381 4.971 50 5 GJBARN CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000004954416 206576083 /nfs/dbraw/zinc/57/60/83/206576083.db2.gz KVIMJJNKWCRHFC-UHFFFAOYSA-N 0 0 392.411 4.825 50 5 GJBARN CC(=O)CCc1ccc2oc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000005865744 206630731 /nfs/dbraw/zinc/63/07/31/206630731.db2.gz IYSXDIVJEGSORL-UHFFFAOYSA-N 0 0 381.384 4.528 50 5 GJBARN Cc1ccc(N(Cc2cccs2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000008586635 206756288 /nfs/dbraw/zinc/75/62/88/206756288.db2.gz NQVCLJXGOREESA-UHFFFAOYSA-N 0 0 382.441 4.577 50 5 GJBARN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)c1ccc2c(c1)CCO2 ZINC000008849692 206767257 /nfs/dbraw/zinc/76/72/57/206767257.db2.gz XZUCCPIVMGMJJF-UHFFFAOYSA-N 0 0 381.409 4.520 50 5 GJBARN O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1csc2c1CCCC2 ZINC000009668220 206795886 /nfs/dbraw/zinc/79/58/86/206795886.db2.gz FYVFTDWHJUDODR-UHFFFAOYSA-N 0 0 399.497 4.835 50 5 GJBARN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000017965039 207091366 /nfs/dbraw/zinc/09/13/66/207091366.db2.gz BQPMKVDDKGXGIW-SNVBAGLBSA-N 0 0 395.278 4.570 50 5 GJBARN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000017208143 207088081 /nfs/dbraw/zinc/08/80/81/207088081.db2.gz RFMORLKBSBJSGA-QFIPXVFZSA-N 0 0 396.406 4.735 50 5 GJBARN O=C(OCc1cc2ccccc2nc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000020822409 207215032 /nfs/dbraw/zinc/21/50/32/207215032.db2.gz HZOHXTZWEKVMHL-UHFFFAOYSA-N 0 0 377.183 4.807 50 5 GJBARN O=C(C[C@H](CCc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000096276456 208300445 /nfs/dbraw/zinc/30/04/45/208300445.db2.gz YQCVUDAVPLRHNB-SFHVURJKSA-N 0 0 391.471 4.805 50 5 GJBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NC4CCCCCC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000102642504 208409524 /nfs/dbraw/zinc/40/95/24/208409524.db2.gz FAXWUUWAIQZUPA-ZTFGCOKTSA-N 0 0 399.491 4.655 50 5 GJBARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012764077 208774874 /nfs/dbraw/zinc/77/48/74/208774874.db2.gz BIYCTXLXXKNFCL-HNDWGLKSSA-N 0 0 386.835 4.634 50 5 GJBARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000741769 220455908 /nfs/dbraw/zinc/45/59/08/220455908.db2.gz GCVALLOIGOWGLT-UHFFFAOYSA-N 0 0 380.787 4.732 50 5 GJBARN O=[N+]([O-])c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)c([N+](=O)[O-])c1 ZINC000002307093 220522360 /nfs/dbraw/zinc/52/23/60/220522360.db2.gz XVUBWZUFOGQSQM-UHFFFAOYSA-N 0 0 388.339 4.906 50 5 GJBARN CCCCCCn1c2ncn(CCC(C)C)c(=O)c2c2nc3ccccc3nc21 ZINC000002343751 220524942 /nfs/dbraw/zinc/52/49/42/220524942.db2.gz QMNKOBYHSJEZBA-UHFFFAOYSA-N 0 0 391.519 4.921 50 5 GJBARN CCc1cccc(-n2c3nc4ccccc4nc3c3c2ncn([C@H](C)CC)c3=O)c1 ZINC000002426354 220533476 /nfs/dbraw/zinc/53/34/76/220533476.db2.gz KVGZXEJJNQBRPK-OAHLLOKOSA-N 0 0 397.482 4.817 50 5 GJBARN O=C(c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)n2c3ccccc3nc12 ZINC000002654050 220549109 /nfs/dbraw/zinc/54/91/09/220549109.db2.gz XPAPTEDOTGUQTF-UHFFFAOYSA-N 0 0 385.301 4.646 50 5 GJBARN O=C(Oc1c(Br)c2c(cc1[N+](=O)[O-])CCCC2)c1ccc(F)cc1 ZINC000002848181 220573592 /nfs/dbraw/zinc/57/35/92/220573592.db2.gz FOLLGDMAVBJTEF-UHFFFAOYSA-N 0 0 394.196 4.594 50 5 GJBARN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1C1CCCC1 ZINC000002973580 220590971 /nfs/dbraw/zinc/59/09/71/220590971.db2.gz RYTFTVZTJVSICS-UHFFFAOYSA-N 0 0 381.457 4.712 50 5 GJBARN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000002991821 220592550 /nfs/dbraw/zinc/59/25/50/220592550.db2.gz YRHRTVQVKZQUDH-UHFFFAOYSA-N 0 0 385.272 4.565 50 5 GJBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000003235728 220613854 /nfs/dbraw/zinc/61/38/54/220613854.db2.gz VQTCKJFSSFXPAM-UHFFFAOYSA-N 0 0 399.402 4.517 50 5 GJBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@@H]1c1cccs1 ZINC000004306731 220703466 /nfs/dbraw/zinc/70/34/66/220703466.db2.gz HGPRPKTZUKHOSL-SNVBAGLBSA-N 0 0 387.339 4.925 50 5 GJBARN COc1cc([N+](=O)[O-])cc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc21 ZINC000004858262 220777912 /nfs/dbraw/zinc/77/79/12/220777912.db2.gz PVEMQRQLGVCDLI-UHFFFAOYSA-N 0 0 386.410 4.562 50 5 GJBARN FC(F)(F)COc1ccnc2c1ccc1c(OCC(F)(F)F)ccnc12 ZINC000299890327 209092761 /nfs/dbraw/zinc/09/27/61/209092761.db2.gz XVFKOMJVSVNKSM-UHFFFAOYSA-N 0 0 376.256 4.665 50 5 GJBARN COc1ccc(NC(=O)/C(=C/c2cccs2)c2cccs2)c([N+](=O)[O-])c1 ZINC000005518836 220878947 /nfs/dbraw/zinc/87/89/47/220878947.db2.gz WTFUEXPPTGEDFB-SDNWHVSQSA-N 0 0 386.454 4.906 50 5 GJBARN Cc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])cc1C ZINC000009245582 221075979 /nfs/dbraw/zinc/07/59/79/221075979.db2.gz NMQWKXZSIPPRAA-UHFFFAOYSA-N 0 0 384.827 4.724 50 5 GJBARN Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000009647469 221087149 /nfs/dbraw/zinc/08/71/49/221087149.db2.gz FIXHQAWVGSRWRP-MRXNPFEDSA-N 0 0 376.338 4.549 50 5 GJBARN CC(=O)Nc1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000012379699 221186394 /nfs/dbraw/zinc/18/63/94/221186394.db2.gz HGQKKNGDFHYGGW-UHFFFAOYSA-N 0 0 393.355 4.921 50 5 GJBARN CSc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000012613742 221214831 /nfs/dbraw/zinc/21/48/31/221214831.db2.gz BIGSODHANGGSGQ-UHFFFAOYSA-N 0 0 399.497 4.679 50 5 GJBARN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000013002889 221255550 /nfs/dbraw/zinc/25/55/50/221255550.db2.gz HVBVBFGKIGZYOH-YUSFRKCESA-N 0 0 399.428 4.617 50 5 GJBARN Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1[N+](=O)[O-] ZINC000012918982 221245643 /nfs/dbraw/zinc/24/56/43/221245643.db2.gz VJMWZIYFYZRKTF-UHFFFAOYSA-N 0 0 393.424 4.703 50 5 GJBARN COc1ccc2c(c1)c1nc3cc(C)c(C)cc3nc1n2CCC1OCCCO1 ZINC000013692997 221281620 /nfs/dbraw/zinc/28/16/20/221281620.db2.gz ZFOWVQIHJGJJAC-UHFFFAOYSA-N 0 0 391.471 4.516 50 5 GJBARN CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000013881451 221293445 /nfs/dbraw/zinc/29/34/45/221293445.db2.gz ILJKDIASLHKJCY-WQRHYEAKSA-N 0 0 398.440 4.619 50 5 GJBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014898885 221319117 /nfs/dbraw/zinc/31/91/17/221319117.db2.gz HNIFCRKJGLCMEG-UHFFFAOYSA-N 0 0 387.745 4.708 50 5 GJBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015646838 221337411 /nfs/dbraw/zinc/33/74/11/221337411.db2.gz JOTWWZFJSJCOEQ-OAHLLOKOSA-N 0 0 387.848 4.835 50 5 GJBARN CC(=O)Nc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000016644009 221367262 /nfs/dbraw/zinc/36/72/62/221367262.db2.gz DSWRYZHTSVRGEO-UHFFFAOYSA-N 0 0 390.399 4.549 50 5 GJBARN CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1Cl ZINC000057997424 136154262 /nfs/dbraw/zinc/15/42/62/136154262.db2.gz YFWRYMRRLXCUND-UHFFFAOYSA-N 0 0 387.867 4.518 50 5 GJBARN O=C(OCc1ccccc1[N+](=O)[O-])c1cnc2ccccc2c1C(F)(F)F ZINC000022868655 221574681 /nfs/dbraw/zinc/57/46/81/221574681.db2.gz CCFGKZQKOLQPCD-UHFFFAOYSA-N 0 0 376.290 4.519 50 5 GJBARN C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000048302177 570234484 /nfs/dbraw/zinc/23/44/84/570234484.db2.gz OPNSVEDXZDMBMU-INIZCTEOSA-N 0 0 376.412 4.665 50 5 GJBARN Cc1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2Nc2ccccc2)cc1 ZINC000006167781 570279594 /nfs/dbraw/zinc/27/95/94/570279594.db2.gz IJKQZZIHKOGIEZ-QNGOZBTKSA-N 0 0 398.422 4.560 50 5 GJBARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012909933 570290521 /nfs/dbraw/zinc/29/05/21/570290521.db2.gz DSGIUPJMYUFGJZ-QGZVFWFLSA-N 0 0 390.823 4.968 50 5 GJBARN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)cc1C ZINC000004833915 570306335 /nfs/dbraw/zinc/30/63/35/570306335.db2.gz MDWSPGSMGGYZNC-UHFFFAOYSA-N 0 0 388.379 4.805 50 5 GJBARN Cc1ccc2[nH]c3c(cc(N4CCCC4)c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000004834512 570310311 /nfs/dbraw/zinc/31/03/11/570310311.db2.gz ACFSMXBDYBCXGE-UHFFFAOYSA-N 0 0 396.446 4.850 50 5 GJBARN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1ccsc1 ZINC000050315425 570333247 /nfs/dbraw/zinc/33/32/47/570333247.db2.gz FYFOHIDEIANYPU-INIZCTEOSA-N 0 0 385.470 4.757 50 5 GJBARN CCCCc1ccc2nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 ZINC000006241045 570347869 /nfs/dbraw/zinc/34/78/69/570347869.db2.gz NLTYXKIXRRYZER-UHFFFAOYSA-N 0 0 385.445 4.808 50 5 GJBARN COc1ccc2nc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4C)cc3cc2c1 ZINC000004901087 570360385 /nfs/dbraw/zinc/36/03/85/570360385.db2.gz QVIZDKCOEUIQSV-UHFFFAOYSA-N 0 0 393.424 4.927 50 5 GJBARN CSc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000006288986 570362270 /nfs/dbraw/zinc/36/22/70/570362270.db2.gz MUAUAAFMJHJPIU-UHFFFAOYSA-N 0 0 378.453 4.836 50 5 GJBARN CCOc1ccccc1NC(=O)c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000005034561 570403332 /nfs/dbraw/zinc/40/33/32/570403332.db2.gz KYGADPJONDUJMY-UHFFFAOYSA-N 0 0 382.372 4.514 50 5 GJBARN COc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c([N+](=O)[O-])c1 ZINC000005034802 570403607 /nfs/dbraw/zinc/40/36/07/570403607.db2.gz ASTPYPJGRFDDDD-UHFFFAOYSA-N 0 0 389.367 4.664 50 5 GJBARN Cc1nn(C(=O)/C=C/c2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000005093500 570415070 /nfs/dbraw/zinc/41/50/70/570415070.db2.gz SXNLFDIOMGHEBU-OUKQBFOZSA-N 0 0 379.441 4.913 50 5 GJBARN O=c1c2ccccc2oc2nc(C3CCCCC3)n(Cc3ccccc3)c(=O)c12 ZINC000002435950 570485305 /nfs/dbraw/zinc/48/53/05/570485305.db2.gz UXZCJEFWKCJBCJ-UHFFFAOYSA-N 0 0 386.451 4.599 50 5 GJBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccco3)nc21 ZINC000005322867 570559010 /nfs/dbraw/zinc/55/90/10/570559010.db2.gz WURVTCZSWJXUDX-UHFFFAOYSA-N 0 0 380.407 4.631 50 5 GJBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000003248150 570597440 /nfs/dbraw/zinc/59/74/40/570597440.db2.gz VQQJBSAENSTAHY-UHFFFAOYSA-N 0 0 395.798 4.836 50 5 GJBARN Cc1cccc2c3nc4ccccc4nc3n(CCn3c4ccccc4oc3=O)c21 ZINC000005516392 570624058 /nfs/dbraw/zinc/62/40/58/570624058.db2.gz WUXYKRLBOFKSPO-UHFFFAOYSA-N 0 0 394.434 4.654 50 5 GJBARN O=c1c2ccccc2nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nn21 ZINC000004593914 570624854 /nfs/dbraw/zinc/62/48/54/570624854.db2.gz AWXMVZMZOYGRCV-UHFFFAOYSA-N 0 0 385.373 4.855 50 5 GJBARN O=[N+]([O-])c1cccc([C@@H]2c3cccn3CCCN2Cc2cc(F)ccc2F)c1 ZINC000036347316 570628720 /nfs/dbraw/zinc/62/87/20/570628720.db2.gz CTKADOISZHQUII-OAQYLSRUSA-N 0 0 383.398 4.670 50 5 GJBARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000936004 570727027 /nfs/dbraw/zinc/72/70/27/570727027.db2.gz DFHKMHATDHOKFY-UHFFFAOYSA-N 0 0 387.347 4.587 50 5 GJBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000000969898 570739717 /nfs/dbraw/zinc/73/97/17/570739717.db2.gz NGVFUOMJXADYRE-YLJYHZDGSA-N 0 0 377.425 4.899 50 5 GJBARN O=[N+]([O-])c1cccc(NCn2nc(C34CC5CC(CC(C5)C3)C4)oc2=S)c1 ZINC000004457494 570784982 /nfs/dbraw/zinc/78/49/82/570784982.db2.gz CSFACEYSDITUQV-UHFFFAOYSA-N 0 0 386.477 4.651 50 5 GJBARN O=C(Nc1cc(F)cc(F)c1)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004668096 570814484 /nfs/dbraw/zinc/81/44/84/570814484.db2.gz FLPJAPOJKNNNAV-UHFFFAOYSA-N 0 0 395.365 4.820 50 5 GJBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NC4CCCCCC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000004684147 570830281 /nfs/dbraw/zinc/83/02/81/570830281.db2.gz FAXWUUWAIQZUPA-FHLIZLRMSA-N 0 0 399.491 4.655 50 5 GJBARN O=c1ncnc2[nH]c3c(cc1-2)c1ccccc1n3-c1c(Cl)cccc1Cl ZINC000005706313 570833359 /nfs/dbraw/zinc/83/33/59/570833359.db2.gz IJFVJOBGCPIYOY-UHFFFAOYSA-N 0 0 381.222 4.722 50 5 GJBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004713489 570855824 /nfs/dbraw/zinc/85/58/24/570855824.db2.gz ZPNMWCCXSKLFFF-UHFFFAOYSA-N 0 0 379.328 4.548 50 5 GJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)C12CC3CC(CC(C3)C1)C2 ZINC000004075809 570928899 /nfs/dbraw/zinc/92/88/99/570928899.db2.gz FNVPHYWMOFOQFK-UHFFFAOYSA-N 0 0 379.254 4.512 50 5 GJBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1cc(Cl)ccc1Cl ZINC000004072322 570929515 /nfs/dbraw/zinc/92/95/15/570929515.db2.gz PWMMIEASLQEXKA-UHFFFAOYSA-N 0 0 395.227 4.672 50 5 GJBARN C[C@@H](Sc1nnc(-c2nnc(-c3ccccc3)o2)o1)c1cccc([N+](=O)[O-])c1 ZINC000032922484 570933979 /nfs/dbraw/zinc/93/39/79/570933979.db2.gz XKXDVAASNSLYJU-LLVKDONJSA-N 0 0 395.400 4.548 50 5 GJBARN O=[N+]([O-])c1ccc(/C=C/c2nn3c(nnc3-c3cccc(Cl)c3)s2)cc1 ZINC000004808598 570995801 /nfs/dbraw/zinc/99/58/01/570995801.db2.gz SXKNBDFMRFVKAP-RMKNXTFCSA-N 0 0 383.820 4.585 50 5 GJBARN O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000007641876 571009963 /nfs/dbraw/zinc/00/99/63/571009963.db2.gz SMIDHFUENMHCGA-UHFFFAOYSA-N 0 0 391.811 4.692 50 5 GJBARN O=C(c1ccccc1)c1ccc(NCc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000084519319 571020599 /nfs/dbraw/zinc/02/05/99/571020599.db2.gz HAXCDJJDHPCFOX-UHFFFAOYSA-N 0 0 383.407 4.986 50 5 GJBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004091687 230832230 /nfs/dbraw/zinc/83/22/30/230832230.db2.gz OWSUWGHNFRXXKM-UHFFFAOYSA-N 0 0 391.452 4.697 50 5 GJBARN Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)OC(C)C)c1C ZINC000001113243 212219160 /nfs/dbraw/zinc/21/91/60/212219160.db2.gz QPJBBLBAYKQLMV-UHFFFAOYSA-N 0 0 396.852 4.744 50 5 GJBARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000001045625 212210226 /nfs/dbraw/zinc/21/02/26/212210226.db2.gz YQLXTWCLPJDWIL-UHFFFAOYSA-N 0 0 378.228 4.885 50 5 GJBARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3C)nc2c1 ZINC000000830439 212187344 /nfs/dbraw/zinc/18/73/44/212187344.db2.gz IGXYKBVPTSVFAA-UHFFFAOYSA-N 0 0 377.356 4.865 50 5 GJBARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000000826571 212186797 /nfs/dbraw/zinc/18/67/97/212186797.db2.gz HDHZKMNWLXLZFW-UHFFFAOYSA-N 0 0 377.331 4.794 50 5 GJBARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)c1ccc([N+](=O)[O-])cc1 ZINC000001447951 212143782 /nfs/dbraw/zinc/14/37/82/212143782.db2.gz XXRIVMXXLWMSTG-UHFFFAOYSA-N 0 0 387.347 4.587 50 5 biogenic GJBARN CSc1ccc(-c2c3cnn(C)c3[nH]c3c2oc2cc(O)cc(=O)c23)cc1 ZINC000263588272 212141464 /nfs/dbraw/zinc/14/14/64/212141464.db2.gz QZSGMBABMQZXMT-UHFFFAOYSA-N 0 0 377.425 4.668 50 5 GJBARN O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000000675592 206315436 /nfs/dbraw/zinc/31/54/36/206315436.db2.gz IPWIWZBCXLHXKQ-UHFFFAOYSA-N 0 0 393.424 4.514 50 5 GJBARN CCOc1ccc([C@H]2Oc3ccc4ccccc4c3C=C2[N+](=O)[O-])cc1OC ZINC000000718328 206319607 /nfs/dbraw/zinc/31/96/07/206319607.db2.gz WQJGFQNQEQBDRM-JOCHJYFZSA-N 0 0 377.396 4.998 50 5 GJBARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000942088 206335372 /nfs/dbraw/zinc/33/53/72/206335372.db2.gz NDFJNUIMMZYSON-UHFFFAOYSA-N 0 0 396.424 4.752 50 5 GJBARN COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 ZINC000001065224 206349050 /nfs/dbraw/zinc/34/90/50/206349050.db2.gz HURRWMMYKNBNFB-UHFFFAOYSA-N 0 0 393.355 4.565 50 5 GJBARN Cc1ccc2oc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000001211284 206367484 /nfs/dbraw/zinc/36/74/84/206367484.db2.gz OZNJOTJCHRAQRI-UHFFFAOYSA-N 0 0 389.367 4.669 50 5 GJBARN CCOc1ccc(-c2csc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)n2)cc1 ZINC000001228883 206369427 /nfs/dbraw/zinc/36/94/27/206369427.db2.gz GZACINHJEAYGTR-UHFFFAOYSA-N 0 0 394.408 4.890 50 5 GJBARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000005124265 206592259 /nfs/dbraw/zinc/59/22/59/206592259.db2.gz NWUOSYDIRRWCOM-MRXNPFEDSA-N 0 0 376.412 4.976 50 5 GJBARN CC(=O)Oc1cn(-c2cc(C)cc(C)c2)c2nc(C)n3c4ccccc4nc3c12 ZINC000005478710 206615115 /nfs/dbraw/zinc/61/51/15/206615115.db2.gz HAKQKBVUXQYLST-UHFFFAOYSA-N 0 0 384.439 4.677 50 5 GJBARN O=[N+]([O-])c1ccc(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000006508075 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GJBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000003145120 220607124 /nfs/dbraw/zinc/60/71/24/220607124.db2.gz VAEOUFWPWKEXBT-UHFFFAOYSA-N 0 0 390.566 4.716 50 5 GJBARN COc1cc([N+](=O)[O-])cc2c1O[C@@]13C(=C2)CCC[C@@]1(C)c1ccccc1N3C ZINC000004794390 220765635 /nfs/dbraw/zinc/76/56/35/220765635.db2.gz AMKZQFXNBZADOW-VXKWHMMOSA-N 0 0 378.428 4.667 50 5 GJBARN CCCNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 ZINC000007844116 221014936 /nfs/dbraw/zinc/01/49/36/221014936.db2.gz VMNWKVJCJCMKQG-UHFFFAOYSA-N 0 0 382.445 4.793 50 5 GJBARN Cc1ccc(NC(=O)[C@H](Sc2ccccn2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000011225419 221113814 /nfs/dbraw/zinc/11/38/14/221113814.db2.gz SUTVBKCZORZGER-LJQANCHMSA-N 0 0 379.441 4.770 50 5 GJBARN O=[N+]([O-])c1c(Sc2ccccn2)sc(Sc2ccccn2)c1[N+](=O)[O-] ZINC000012369221 221186805 /nfs/dbraw/zinc/18/68/05/221186805.db2.gz HFMRTYOHGPBULU-UHFFFAOYSA-N 0 0 392.443 4.657 50 5 GJBARN Cc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)ccc1[N+](=O)[O-] ZINC000012918995 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O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001512578 570585208 /nfs/dbraw/zinc/58/52/08/570585208.db2.gz DUWSOBJAJLYBNW-UHFFFAOYSA-N 0 0 385.335 4.571 50 5 GJBARN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 ZINC000006949112 570717315 /nfs/dbraw/zinc/71/73/15/570717315.db2.gz BBCLHJFJROIWDW-UHFFFAOYSA-N 0 0 385.759 4.548 50 5 GJBARN Cc1ccc(C2=N/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1[N+](=O)[O-] ZINC000006995682 570730873 /nfs/dbraw/zinc/73/08/73/570730873.db2.gz HIWBJIQAGXXIRZ-ZSOIEALJSA-N 0 0 377.183 4.555 50 5 GJBARN Cc1ccc(Nc2cc(N3CCC(C)CC3)c3nonc3c2[N+](=O)[O-])c(C)c1 ZINC000004406283 570736781 /nfs/dbraw/zinc/73/67/81/570736781.db2.gz NCAODPYEYGXLFM-UHFFFAOYSA-N 0 0 381.436 4.728 50 5 GJBARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000995248 570742444 /nfs/dbraw/zinc/74/24/44/570742444.db2.gz DRSRIVORJVZFAZ-UHFFFAOYSA-N 0 0 377.784 4.763 50 5 GJBARN O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000001118913 570753828 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212218310 /nfs/dbraw/zinc/21/83/10/212218310.db2.gz YZJDSYDOPXQUAR-INIZCTEOSA-N 0 0 376.412 4.916 50 5 GJBARN CCSc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000001084505 212215373 /nfs/dbraw/zinc/21/53/73/212215373.db2.gz VHAXREBBRPJMDX-UHFFFAOYSA-N 0 0 393.468 4.945 50 5 GJBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Cl)c1 ZINC000001078784 212215170 /nfs/dbraw/zinc/21/51/70/212215170.db2.gz HOHFWYBJPUYAGL-UHFFFAOYSA-N 0 0 390.770 4.998 50 5 GJBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 ZINC000001058026 212211380 /nfs/dbraw/zinc/21/13/80/212211380.db2.gz ODQYVCOJCXAGBP-UHFFFAOYSA-N 0 0 398.469 4.848 50 5 GJBARN Cc1cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)ccc1[N+](=O)[O-] ZINC000000828023 212186897 /nfs/dbraw/zinc/18/68/97/212186897.db2.gz KHDBVRYSAGVBQY-UHFFFAOYSA-N 0 0 388.383 4.667 50 5 GJBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1-c1cc2ccccc2oc1=O ZINC000000830409 212186572 /nfs/dbraw/zinc/18/65/72/212186572.db2.gz KMQWEEZMAZFNQJ-UHFFFAOYSA-N 0 0 390.351 4.522 50 5 GJBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000001164402 209116489 /nfs/dbraw/zinc/11/64/89/209116489.db2.gz TWZFGEYWYNMCTO-UHFFFAOYSA-N 0 0 388.590 4.595 50 5 GJBARN CCc1cc2c(cc1O)oc(=O)c1cnc3c(sc4nc(C)cc(C)c43)c12 ZINC000011865330 206295342 /nfs/dbraw/zinc/29/53/42/206295342.db2.gz CSBXAAFVARVTBM-UHFFFAOYSA-N 0 0 376.437 4.989 50 5 GJBARN Brc1ccc(-c2csc3nnc4c5ccccc5nc-4n23)cc1 ZINC000000642436 206312047 /nfs/dbraw/zinc/31/20/47/206312047.db2.gz LKIRUXUUHLFBQP-UHFFFAOYSA-N 0 0 381.258 4.873 50 5 GJBARN COC(=O)c1sc2cc([N+](=O)[O-])cc(Sc3ccc(Cl)cc3)c2c1N ZINC000000655614 206313376 /nfs/dbraw/zinc/31/33/76/206313376.db2.gz ORXRGBUOZNWGHI-UHFFFAOYSA-N 0 0 394.861 4.983 50 5 GJBARN CCC(=O)Nc1nc2c(c3c4ccccc4oc(=O)c13)C[C@H](C(C)(C)C)CC2 ZINC000000718038 206319059 /nfs/dbraw/zinc/31/90/59/206319059.db2.gz PNBFDRXVESIXDA-CYBMUJFWSA-N 0 0 378.472 4.841 50 5 GJBARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000000855679 206327426 /nfs/dbraw/zinc/32/74/26/206327426.db2.gz RUDFFERGFQHSOJ-PXAZEXFGSA-N 0 0 385.489 4.661 50 5 GJBARN O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001216724 206368036 /nfs/dbraw/zinc/36/80/36/206368036.db2.gz XSWCXZCNKFDLJR-GKZQGBICSA-N 0 0 386.363 4.864 50 5 GJBARN CCc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1 ZINC000001209892 206368449 /nfs/dbraw/zinc/36/84/49/206368449.db2.gz ODVREANKOMGDFH-UHFFFAOYSA-N 0 0 377.356 4.811 50 5 GJBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc(N3CCCCC3)c12 ZINC000004117303 206503436 /nfs/dbraw/zinc/50/34/36/206503436.db2.gz ZSIRIYWYAXQTOY-UHFFFAOYSA-N 0 0 396.446 4.931 50 5 GJBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000004571341 206530604 /nfs/dbraw/zinc/53/06/04/206530604.db2.gz KMYORFJVNHKUBJ-ANRSDYALSA-N 0 0 377.853 4.863 50 5 GJBARN CCOc1ccccc1NC(=O)[C@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005109072 206592851 /nfs/dbraw/zinc/59/28/51/206592851.db2.gz LDCZUOQOJCLHIN-OAQYLSRUSA-N 0 0 392.411 4.752 50 5 GJBARN O=c1[nH]c(C(Cl)=Cc2cc([N+](=O)[O-])ccc2Cl)nc2cc(Cl)ccc12 ZINC000005264191 206602404 /nfs/dbraw/zinc/60/24/04/206602404.db2.gz PLCFOCMKGRXBED-MLPAPPSSSA-N 0 0 396.617 4.875 50 5 GJBARN Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cs1 ZINC000012999690 206962952 /nfs/dbraw/zinc/96/29/52/206962952.db2.gz GZQAPGLULWPZAL-UHFFFAOYSA-N 0 0 387.848 4.610 50 5 GJBARN O=c1oc2c(ccc3c2CN(Cc2cccc(Cl)c2)CO3)c2ccccc12 ZINC000019882358 207168320 /nfs/dbraw/zinc/16/83/20/207168320.db2.gz OQEHXRZZXHNHBK-UHFFFAOYSA-N 0 0 377.827 4.952 50 5 biogenic GJBARN Cc1noc(C[C@@H](CC(=O)c2ccc(F)cc2)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000019872738 207168590 /nfs/dbraw/zinc/16/85/90/207168590.db2.gz VOGKJMCKEQOGLY-OAHLLOKOSA-N 0 0 386.354 4.769 50 5 GJBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(CCc1ccc(F)cc1)CO2 ZINC000019890909 207169004 /nfs/dbraw/zinc/16/90/04/207169004.db2.gz PVZQNDVPLZXYGV-UHFFFAOYSA-N 0 0 389.426 4.788 50 5 GJBARN CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021090634 207225954 /nfs/dbraw/zinc/22/59/54/207225954.db2.gz HUNNYBXSNQXKKT-JOCHJYFZSA-N 0 0 387.395 4.501 50 5 GJBARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000058416992 207776716 /nfs/dbraw/zinc/77/67/16/207776716.db2.gz LVODCAWSZADQIW-INIZCTEOSA-N 0 0 387.439 4.798 50 5 GJBARN COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000024832731 208871663 /nfs/dbraw/zinc/87/16/63/208871663.db2.gz JWGWAPSKFXSXGI-CYBMUJFWSA-N 0 0 388.851 4.698 50 5 GJBARN C[C@@]1(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)CC1(Cl)Cl ZINC000003510332 220652044 /nfs/dbraw/zinc/65/20/44/220652044.db2.gz RVUNMYRAWUJKBK-SFHVURJKSA-N 0 0 377.223 4.573 50 5 GJBARN Cc1cc(C(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])c(-c2ccccc2)o1 ZINC000005059614 220822183 /nfs/dbraw/zinc/82/21/83/220822183.db2.gz PHAYYRLDHGNXGD-UHFFFAOYSA-N 0 0 399.834 4.659 50 5 GJBARN O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C/c1cccc(Br)c1 ZINC000098006911 209018545 /nfs/dbraw/zinc/01/85/45/209018545.db2.gz QRHOTRYYVNOBBW-WZUFQYTHSA-N 0 0 379.597 4.503 50 5 GJBARN Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1C1CC1 ZINC000006560333 220941955 /nfs/dbraw/zinc/94/19/55/220941955.db2.gz WUVKJPNFTNRTBL-UHFFFAOYSA-N 0 0 387.486 4.933 50 5 GJBARN Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])s2)cs1 ZINC000007820660 221013917 /nfs/dbraw/zinc/01/39/17/221013917.db2.gz QMHDVLADIOXARH-UHFFFAOYSA-N 0 0 393.877 4.672 50 5 GJBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000007497819 220999861 /nfs/dbraw/zinc/99/98/61/220999861.db2.gz RZSRUYNDCHGULK-HNNXBMFYSA-N 0 0 377.400 4.744 50 5 GJBARN O=[N+]([O-])c1ccc(Sc2nnc(NCc3ccccc3)s2)c(Cl)c1 ZINC000008198220 221031046 /nfs/dbraw/zinc/03/10/46/221031046.db2.gz UZYMUIPKLXCWHX-UHFFFAOYSA-N 0 0 378.866 4.863 50 5 GJBARN CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000008782395 221058875 /nfs/dbraw/zinc/05/88/75/221058875.db2.gz UHVIGTYKULLTLR-UHFFFAOYSA-N 0 0 389.839 4.875 50 5 GJBARN O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccc(F)cc1 ZINC000009422519 221080509 /nfs/dbraw/zinc/08/05/09/221080509.db2.gz SNURTYIDUMHJSY-FQEVSTJZSA-N 0 0 377.375 4.501 50 5 GJBARN O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000008986708 221066724 /nfs/dbraw/zinc/06/67/24/221066724.db2.gz SPFPEYGVDKSFSV-UHFFFAOYSA-N 0 0 384.395 4.700 50 5 GJBARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])o4)n3)oc21 ZINC000010749646 221107606 /nfs/dbraw/zinc/10/76/06/221107606.db2.gz CYYPGASHGCEAJP-UHFFFAOYSA-N 0 0 399.384 4.709 50 5 GJBARN Cc1cc(C)c(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000012797562 221233767 /nfs/dbraw/zinc/23/37/67/221233767.db2.gz ZYONRQNJRWWJDD-MRXNPFEDSA-N 0 0 378.428 4.621 50 5 GJBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000012866347 221240457 /nfs/dbraw/zinc/24/04/57/221240457.db2.gz LPYMNUPBXGMNDX-LBPRGKRZSA-N 0 0 385.420 4.691 50 5 GJBARN CC(C)c1ccc(-c2nonc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000013725987 221284664 /nfs/dbraw/zinc/28/46/64/221284664.db2.gz AUFQQXPVAREOIE-UHFFFAOYSA-N 0 0 386.795 4.674 50 5 GJBARN CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021090638 221526109 /nfs/dbraw/zinc/52/61/09/221526109.db2.gz HUNNYBXSNQXKKT-QFIPXVFZSA-N 0 0 387.395 4.501 50 5 GJBARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000010899274 136199374 /nfs/dbraw/zinc/19/93/74/136199374.db2.gz ITQIIEFYEUNYFB-UHFFFAOYSA-N 0 0 387.867 4.511 50 5 GJBARN CC(=O)c1ccc(Oc2cc(C)nc(SCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000037510891 221871328 /nfs/dbraw/zinc/87/13/28/221871328.db2.gz PYGVNYCZYPJNAH-UHFFFAOYSA-N 0 0 395.440 4.980 50 5 GJBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000043548323 221947721 /nfs/dbraw/zinc/94/77/21/221947721.db2.gz DLRZKCBAEXSFIH-AWEZNQCLSA-N 0 0 397.431 4.861 50 5 GJBARN C[C@H](Nc1ccc(C(=O)N2CCCCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052937978 222008151 /nfs/dbraw/zinc/00/81/51/222008151.db2.gz SSVFNCKSAMQQLQ-INIZCTEOSA-N 0 0 382.464 4.569 50 5 GJBARN O=[N+]([O-])c1cc(Br)ccc1N[C@H](c1ccccc1)c1ccccn1 ZINC000058406621 222052609 /nfs/dbraw/zinc/05/26/09/222052609.db2.gz QGTSYBKLQFXKBV-GOSISDBHSA-N 0 0 384.233 4.954 50 5 GJBARN O=[N+]([O-])c1cccnc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000065692356 222135322 /nfs/dbraw/zinc/13/53/22/222135322.db2.gz GEQNQJIYCRVTMZ-UHFFFAOYSA-N 0 0 383.216 4.639 50 5 GJBARN O=[N+]([O-])c1ccc(Sc2nnc(NC3CCCCC3)s2)c2ccncc21 ZINC000069432472 222173449 /nfs/dbraw/zinc/17/34/49/222173449.db2.gz JDNNWVLYRHOJFB-UHFFFAOYSA-N 0 0 387.490 4.890 50 5 GJBARN Cc1sc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc1[N+](=O)[O-] ZINC000084250808 222314014 /nfs/dbraw/zinc/31/40/14/222314014.db2.gz YKLAXKMWJUQTDA-UHFFFAOYSA-N 0 0 392.440 4.840 50 5 GJBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000044017747 570219602 /nfs/dbraw/zinc/21/96/02/570219602.db2.gz OSKVYIKLFGBRKB-NSHDSACASA-N 0 0 383.326 4.718 50 5 GJBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C/c1ccc2ccccc2c1 ZINC000000728491 570309046 /nfs/dbraw/zinc/30/90/46/570309046.db2.gz WNPPPWUEDCCKLD-VCHYOVAHSA-N 0 0 378.771 4.746 50 5 GJBARN Cc1cc(C)cc(NC(=O)COc2ccc3c4ccccc4c(=O)oc3c2C)c1 ZINC000002854588 570309371 /nfs/dbraw/zinc/30/93/71/570309371.db2.gz XUJVIGJZIOQJCA-UHFFFAOYSA-N 0 0 387.435 4.889 50 5 GJBARN COC(=O)Cc1ccc(Oc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000023709160 570330131 /nfs/dbraw/zinc/33/01/31/570330131.db2.gz CCACJXPUHSMCNZ-UHFFFAOYSA-N 0 0 389.713 4.775 50 5 GJBARN Cc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cc(=O)o2)cc1[N+](=O)[O-] ZINC000004859776 570348044 /nfs/dbraw/zinc/34/80/44/570348044.db2.gz XRZFLEMEXMOPDT-UHFFFAOYSA-N 0 0 377.183 4.892 50 5 GJBARN CCOc1cc2c(cc1OCC)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)CC(=O)N2 ZINC000004915101 570364157 /nfs/dbraw/zinc/36/41/57/570364157.db2.gz QGPBAVOHLVKARO-GFCCVEGCSA-N 0 0 390.823 4.520 50 5 GJBARN O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2F)c1 ZINC000005020154 570397808 /nfs/dbraw/zinc/39/78/08/570397808.db2.gz IEKPTRLSLHXZPJ-UHFFFAOYSA-N 0 0 385.358 4.683 50 5 GJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2cc3ccccc3cc2[nH]1 ZINC000005028294 570398759 /nfs/dbraw/zinc/39/87/59/570398759.db2.gz ZIOTXVLFWFWCCM-UHFFFAOYSA-N 0 0 392.440 4.664 50 5 GJBARN Cc1cc(C)cc(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)c1 ZINC000006399883 570404828 /nfs/dbraw/zinc/40/48/28/570404828.db2.gz WAIJJNQONBNSJG-BGYRXZFFSA-N 0 0 394.427 4.684 50 5 GJBARN COc1c(C)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005064731 570409081 /nfs/dbraw/zinc/40/90/81/570409081.db2.gz JOWQLSZALYULDI-UHFFFAOYSA-N 0 0 399.628 4.580 50 5 GJBARN Cc1csc2nc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)cn12 ZINC000005083703 570413579 /nfs/dbraw/zinc/41/35/79/570413579.db2.gz JHQSXNRAYZRZFO-UHFFFAOYSA-N 0 0 378.413 4.532 50 5 GJBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 ZINC000005101294 570417739 /nfs/dbraw/zinc/41/77/39/570417739.db2.gz ZEXLMNWXPAALGK-BUHFOSPRSA-N 0 0 383.407 4.523 50 5 GJBARN Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000005102962 570418012 /nfs/dbraw/zinc/41/80/12/570418012.db2.gz FHOOGUVAVAYTOP-UHFFFAOYSA-N 0 0 388.383 4.667 50 5 GJBARN COc1ccc(-c2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2C)cc1 ZINC000006587876 570486017 /nfs/dbraw/zinc/48/60/17/570486017.db2.gz UMGAEWLWHRXSKS-UHFFFAOYSA-N 0 0 383.429 4.596 50 5 GJBARN O=C(Cn1c2ccccc2c(=O)c2cc(Cl)ccc21)Nc1ccc(F)cc1F ZINC000006720339 570490289 /nfs/dbraw/zinc/49/02/89/570490289.db2.gz HGOKMPRIMLNXJW-UHFFFAOYSA-N 0 0 398.796 4.725 50 5 GJBARN CCCCCCC(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000027016226 570493866 /nfs/dbraw/zinc/49/38/66/570493866.db2.gz MEUSPYMAWZXRSX-CQSZACIVSA-N 0 0 397.686 4.757 50 5 GJBARN CC(C)(C)c1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000002069206 570503306 /nfs/dbraw/zinc/50/33/06/570503306.db2.gz PENJWJKAOZTORZ-LICLKQGHSA-N 0 0 384.819 4.890 50 5 GJBARN Cc1cccc(-c2nc3c(c4nc5ccccc5n42)c(=O)c2ccccc2n3C)c1 ZINC000005206277 570507716 /nfs/dbraw/zinc/50/77/16/570507716.db2.gz RKFBFIXGWZNIFR-UHFFFAOYSA-N 0 0 390.446 4.863 50 5 GJBARN O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000006660401 570521773 /nfs/dbraw/zinc/52/17/73/570521773.db2.gz XHUYXATZZYFPFH-UHFFFAOYSA-N 0 0 394.770 4.760 50 5 GJBARN COc1ccc2cc(COC(=O)/C=C\c3cccc([N+](=O)[O-])c3)c(Cl)nc2c1 ZINC000097656223 570557863 /nfs/dbraw/zinc/55/78/63/570557863.db2.gz VJRYOBNUWBDIGE-YVMONPNESA-N 0 0 398.802 4.562 50 5 GJBARN CCc1ccc([C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cccs2)cc1 ZINC000005406081 570587466 /nfs/dbraw/zinc/58/74/66/570587466.db2.gz PJCNEPCMNFWWIY-HXUWFJFHSA-N 0 0 396.468 4.747 50 5 GJBARN CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000005577242 570659469 /nfs/dbraw/zinc/65/94/69/570659469.db2.gz FBLZAWLFOCCAJB-UHFFFAOYSA-N 0 0 394.431 4.514 50 5 GJBARN CCOc1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(OCC)c1OCC ZINC000001118679 570754002 /nfs/dbraw/zinc/75/40/02/570754002.db2.gz JVEAEMKSFHLKJY-UHFFFAOYSA-N 0 0 399.403 4.508 50 5 GJBARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000001133182 570756368 /nfs/dbraw/zinc/75/63/68/570756368.db2.gz LIRKKIJSKVLONE-GCZGRYASSA-N 0 0 383.473 4.635 50 5 GJBARN Cc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 ZINC000007042353 570759811 /nfs/dbraw/zinc/75/98/11/570759811.db2.gz YNBFKFVHRNDFBG-GFCCVEGCSA-N 0 0 381.354 4.670 50 5 GJBARN O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004481941 570803848 /nfs/dbraw/zinc/80/38/48/570803848.db2.gz VPYPKVCGTYPTLX-UHFFFAOYSA-N 0 0 379.850 4.589 50 5 GJBARN O=c1c2ccccc2nc(/C=C\c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004659580 570810067 /nfs/dbraw/zinc/81/00/67/570810067.db2.gz FTBRUWDIORSYGM-AUWJEWJLSA-N 0 0 387.370 4.603 50 5 GJBARN O=C(NCc1ccccc1Cl)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004660704 570810554 /nfs/dbraw/zinc/81/05/54/570810554.db2.gz PLOKLLACNRZHFH-UHFFFAOYSA-N 0 0 387.867 4.559 50 5 GJBARN Cc1ccc(CNC(=O)c2ccc(N3CCc4ccccc43)c([N+](=O)[O-])c2)cc1 ZINC000004660532 570810601 /nfs/dbraw/zinc/81/06/01/570810601.db2.gz WEUUUEQOXFWQSF-UHFFFAOYSA-N 0 0 387.439 4.527 50 5 aggregator GJBARN Cc1cccc(NC(=O)c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000004668152 570811572 /nfs/dbraw/zinc/81/15/72/570811572.db2.gz RAIUQIZXUFHCDV-UHFFFAOYSA-N 0 0 375.428 4.792 50 5 GJBARN C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000239203160 570823373 /nfs/dbraw/zinc/82/33/73/570823373.db2.gz RVJZQWYATNDBQG-UFNANVBGSA-N 0 0 383.492 4.870 50 5 GJBARN CC[C@H](C)N(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012522389 570828710 /nfs/dbraw/zinc/82/87/10/570828710.db2.gz NPISCXHYPHYILA-IBGZPJMESA-N 0 0 398.506 4.982 50 5 GJBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000065541859 570832754 /nfs/dbraw/zinc/83/27/54/570832754.db2.gz WJIMCXHBAZWPND-UHFFFAOYSA-N 0 0 390.226 4.581 50 5 GJBARN Cc1ccc([C@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000012537757 570837113 /nfs/dbraw/zinc/83/71/13/570837113.db2.gz FLDZQEQWXWMRPI-JOCHJYFZSA-N 0 0 396.490 4.827 50 5 GJBARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012538581 570837829 /nfs/dbraw/zinc/83/78/29/570837829.db2.gz PNARJAQKXWRJET-UHFFFAOYSA-N 0 0 398.831 4.877 50 5 GJBARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103591763 570887751 /nfs/dbraw/zinc/88/77/51/570887751.db2.gz TWXOICDLOQFOAY-SFHVURJKSA-N 0 0 384.432 4.602 50 5 GJBARN O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1NCc1cccnc1 ZINC000004755438 570963538 /nfs/dbraw/zinc/96/35/38/570963538.db2.gz WFQFOOCPUZDZCI-UHFFFAOYSA-N 0 0 382.807 4.508 50 5 GJBARN Cc1cccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])C2)c1 ZINC000252482376 570968634 /nfs/dbraw/zinc/96/86/34/570968634.db2.gz DEBDPZLGYZUWBL-JOCHJYFZSA-N 0 0 385.423 4.895 50 5 GJBARN O=[N+]([O-])c1ccccc1NCc1cccc(CNc2ccccc2[N+](=O)[O-])c1 ZINC000004774769 570975406 /nfs/dbraw/zinc/97/54/06/570975406.db2.gz OXIFTCOMIOROKM-UHFFFAOYSA-N 0 0 378.388 4.727 50 5 GJBARN Cc1cccc([N+](=O)[O-])c1NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N ZINC000004770589 570976416 /nfs/dbraw/zinc/97/64/16/570976416.db2.gz ZGXDCQHBLHNWCP-UHFFFAOYSA-N 0 0 390.852 4.618 50 5 GJBARN O=[N+]([O-])c1ccccc1Sc1nnc(Sc2ccccc2[N+](=O)[O-])s1 ZINC000002171473 570993259 /nfs/dbraw/zinc/99/32/59/570993259.db2.gz XDZOKKQVTZTUJK-UHFFFAOYSA-N 0 0 392.443 4.657 50 5 GJBARN Cc1cccc(CN(Cc2cccc(C)n2)c2ccc([N+](=O)[O-])c3cnccc32)n1 ZINC000170655570 571000210 /nfs/dbraw/zinc/00/02/10/571000210.db2.gz FQFIQHRFSBEBPQ-UHFFFAOYSA-N 0 0 399.454 4.757 50 5 GJBARN Cc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 ZINC000005066124 230839202 /nfs/dbraw/zinc/83/92/02/230839202.db2.gz JMDFKVNPPMDEOO-UHFFFAOYSA-N 0 0 381.395 4.852 50 5 GJBARN C[C@H]1Oc2ccccc2C=C1c1c2cnn(C)c2[nH]c2c1oc1cc(O)cc(=O)c12 ZINC000409415345 231203635 /nfs/dbraw/zinc/20/36/35/231203635.db2.gz BOJJKIYDOFCFNL-LLVKDONJSA-N 0 0 399.406 4.600 50 5 biogenic GJBARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000001228832 212230981 /nfs/dbraw/zinc/23/09/81/212230981.db2.gz SXWVQFILLWCRJQ-UHFFFAOYSA-N 0 0 389.411 4.716 50 5 GJBARN CCc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC)c(Cl)cc12 ZINC000001167221 212225101 /nfs/dbraw/zinc/22/51/01/212225101.db2.gz XJKDJOPDRBAJIK-UHFFFAOYSA-N 0 0 389.791 4.505 50 5 GJBARN Cc1nn(-c2ccccc2)c(OC(=O)C(C)C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001144698 212223280 /nfs/dbraw/zinc/22/32/80/212223280.db2.gz XEBWKXMAYLUEPP-UHFFFAOYSA-N 0 0 397.456 4.802 50 5 GJBARN CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)c1ccccc1 ZINC000000846121 212189056 /nfs/dbraw/zinc/18/90/56/212189056.db2.gz FBOKXZOXHBYAJJ-UHFFFAOYSA-N 0 0 396.424 4.752 50 5 GJBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Br)o2)cc1 ZINC000000849492 212188005 /nfs/dbraw/zinc/18/80/05/212188005.db2.gz IUNBNLRFZPLDJD-UHFFFAOYSA-N 0 0 392.234 4.700 50 5 GJBARN CCOc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004542786 212079870 /nfs/dbraw/zinc/07/98/70/212079870.db2.gz QTQSODZMDIGTBD-ACCUITESSA-N 0 0 378.384 4.905 50 5 GJBARN Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000001150725 209115425 /nfs/dbraw/zinc/11/54/25/209115425.db2.gz WGFSBIMWGQCWTN-OAQYLSRUSA-N 0 0 375.380 4.684 50 5 GJBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000692398 206317877 /nfs/dbraw/zinc/31/78/77/206317877.db2.gz XRGCUUBPEHJSEW-UHFFFAOYSA-N 0 0 386.285 4.567 50 5 GJBARN CC1(C)CC(=O)c2c(nc3c(c2-c2cccc([N+](=O)[O-])c2)C(=O)CC(C)(C)C3)C1 ZINC000000947111 206337225 /nfs/dbraw/zinc/33/72/25/206337225.db2.gz KDJQXIBPCBCZEQ-UHFFFAOYSA-N 0 0 392.455 4.967 50 5 GJBARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4cccc([N+](=O)[O-])c4)c32)C1 ZINC000000955190 206337810 /nfs/dbraw/zinc/33/78/10/206337810.db2.gz UPBNAHKTQKSHCB-LLVKDONJSA-N 0 0 399.497 4.699 50 5 GJBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000000990561 206339982 /nfs/dbraw/zinc/33/99/82/206339982.db2.gz LCZUFGKPWKKIFL-UHFFFAOYSA-N 0 0 389.127 4.628 50 5 GJBARN O=c1c2c3c(sc2nc2c4ccccc4c(-c4ccc(F)cc4)nn12)CCC3 ZINC000001017540 206341953 /nfs/dbraw/zinc/34/19/53/206341953.db2.gz YNZBXYBKZYQSRD-UHFFFAOYSA-N 0 0 387.439 4.752 50 5 GJBARN O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001151173 206360024 /nfs/dbraw/zinc/36/00/24/206360024.db2.gz VPPRBUVBKHORGO-HNNXBMFYSA-N 0 0 383.454 4.709 50 5 GJBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc2c(Br)cccc12 ZINC000001184098 206364789 /nfs/dbraw/zinc/36/47/89/206364789.db2.gz OLJOPXVGICNARW-UHFFFAOYSA-N 0 0 389.180 4.902 50 5 GJBARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1 ZINC000001208157 206368099 /nfs/dbraw/zinc/36/80/99/206368099.db2.gz YPCHCYLBELPPMT-UHFFFAOYSA-N 0 0 389.367 4.669 50 5 GJBARN CCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000001219317 206369107 /nfs/dbraw/zinc/36/91/07/206369107.db2.gz WGHFJWAKYITREM-UHFFFAOYSA-N 0 0 379.416 4.953 50 5 GJBARN Cc1ccc([N+](=O)[O-])c(OCCSc2nnc3cc(C)c4ccccc4n32)c1 ZINC000001746363 206391785 /nfs/dbraw/zinc/39/17/85/206391785.db2.gz PCMQYAVJNMTGMD-UHFFFAOYSA-N 0 0 394.456 4.579 50 5 GJBARN O=C(NC1CCCCC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002970358 206450108 /nfs/dbraw/zinc/45/01/08/206450108.db2.gz JGEWLYCDNZRDIC-UHFFFAOYSA-N 0 0 376.485 4.761 50 5 GJBARN Cc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000004790796 206554613 /nfs/dbraw/zinc/55/46/13/206554613.db2.gz ALJDCZDSEXPVLP-UHFFFAOYSA-N 0 0 390.374 4.609 50 5 GJBARN O=[N+]([O-])c1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000004860711 206562745 /nfs/dbraw/zinc/56/27/45/206562745.db2.gz VSPCYHKNOQWGQC-OAQYLSRUSA-N 0 0 388.383 4.859 50 5 GJBARN CC(C)Oc1cc2c(cc1[N+](=O)[O-])C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C ZINC000004859575 206562999 /nfs/dbraw/zinc/56/29/99/206562999.db2.gz RQTFHPUKIUEOTO-QFIPXVFZSA-N 0 0 380.444 4.912 50 5 GJBARN O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc([N+](=O)[O-])c1 ZINC000006224522 206645603 /nfs/dbraw/zinc/64/56/03/206645603.db2.gz KOAOBEQQXKTMSL-UHFFFAOYSA-N 0 0 381.131 4.527 50 5 GJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCCOc2ccccc2)c1 ZINC000008563482 206754872 /nfs/dbraw/zinc/75/48/72/206754872.db2.gz GBIXXMGUTXDDQD-UHFFFAOYSA-N 0 0 392.411 4.613 50 5 GJBARN COc1ccc(-c2noc(-c3ccc(NCc4ccco4)c([N+](=O)[O-])c3)n2)cc1 ZINC000008586885 206757006 /nfs/dbraw/zinc/75/70/06/206757006.db2.gz FTFFKUQOCBPSIP-UHFFFAOYSA-N 0 0 392.371 4.526 50 5 GJBARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000021107698 207226009 /nfs/dbraw/zinc/22/60/09/207226009.db2.gz WKTRPVMZQBTUGF-IBGZPJMESA-N 0 0 394.818 4.723 50 5 GJBARN Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2s1 ZINC000025425809 207303338 /nfs/dbraw/zinc/30/33/38/207303338.db2.gz QSSQGWIUSYNXHZ-VIFPVBQESA-N 0 0 390.852 4.605 50 5 GJBARN CC(=O)Nc1ccc(OC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000032902190 207418130 /nfs/dbraw/zinc/41/81/30/207418130.db2.gz KQXHGMHSUUPCRH-UHFFFAOYSA-N 0 0 391.383 4.516 50 5 GJBARN COc1ccc(CN2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1 ZINC000055396261 207740519 /nfs/dbraw/zinc/74/05/19/207740519.db2.gz WDPRCRVALGYMCL-UHFFFAOYSA-N 0 0 387.435 4.615 50 5 biogenic GJBARN CCCc1ccc(C(=O)N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)c(C)[nH]2)cc1 ZINC000089960447 208111371 /nfs/dbraw/zinc/11/13/71/208111371.db2.gz YUNKTOUBKQQJTB-UHFFFAOYSA-N 0 0 392.459 4.518 50 5 GJBARN C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2s1 ZINC000089913750 208112358 /nfs/dbraw/zinc/11/23/58/208112358.db2.gz NJOGJLOCQRAUMI-LLVKDONJSA-N 0 0 381.413 4.533 50 5 GJBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3n(O)c2-c2ccccc2)cc1 ZINC000000955777 208489351 /nfs/dbraw/zinc/48/93/51/208489351.db2.gz AXGWDCONMXHSTN-HXUWFJFHSA-N 0 0 388.423 4.963 50 5 GJBARN O=C1C[C@@H](c2ccco2)Sc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 ZINC000005053385 220819951 /nfs/dbraw/zinc/81/99/51/220819951.db2.gz ZLFDGQRVHCDECZ-IBGZPJMESA-N 0 0 380.425 4.958 50 5 GJBARN COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000005218410 220846062 /nfs/dbraw/zinc/84/60/62/220846062.db2.gz AAOZGJUVYHZCOH-UHFFFAOYSA-N 0 0 388.383 4.691 50 5 GJBARN O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccc1[N+](=O)[O-] ZINC000006946219 220979973 /nfs/dbraw/zinc/97/99/73/220979973.db2.gz JCJZRNOMMBMMFI-UHFFFAOYSA-N 0 0 389.433 4.588 50 5 GJBARN O=C(N[C@H]1CCSc2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007780371 221010895 /nfs/dbraw/zinc/01/08/95/221010895.db2.gz JVXHQGMQYYQUDB-INIZCTEOSA-N 0 0 380.425 4.822 50 5 GJBARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000008156873 221029271 /nfs/dbraw/zinc/02/92/71/221029271.db2.gz UGEUUXWHJUEJPV-INIZCTEOSA-N 0 0 379.460 4.567 50 5 GJBARN C[C@@H](Sc1ccc(C(F)(F)F)cn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008780420 221057963 /nfs/dbraw/zinc/05/79/63/221057963.db2.gz VLGIJHOUZONANH-SECBINFHSA-N 0 0 396.350 4.912 50 5 GJBARN COc1ccccc1-c1noc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000008586850 221044667 /nfs/dbraw/zinc/04/46/67/221044667.db2.gz NHQIVWTZAYCMFL-UHFFFAOYSA-N 0 0 380.404 4.675 50 5 aggregator GJBARN O=[N+]([O-])c1c(Sc2ccc(F)cc2)ncnc1Sc1ccc(F)cc1 ZINC000008716937 221051743 /nfs/dbraw/zinc/05/17/43/221051743.db2.gz TZNSJZLXHLLFDI-UHFFFAOYSA-N 0 0 377.397 4.965 50 5 GJBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)s1 ZINC000011917822 221137492 /nfs/dbraw/zinc/13/74/92/221137492.db2.gz MRNCMPNIQHLSNF-JXFKEZNVSA-N 0 0 377.425 4.899 50 5 GJBARN O=[N+]([O-])c1cc(Cl)cc(Br)c1OCc1cc(-c2ccco2)on1 ZINC000012736376 221222290 /nfs/dbraw/zinc/22/22/90/221222290.db2.gz MRAKFLRPMLAETH-UHFFFAOYSA-N 0 0 399.584 4.838 50 5 GJBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000012908142 221244809 /nfs/dbraw/zinc/24/48/09/221244809.db2.gz UENBFVGAXQJJJD-PAQRCMFQSA-N 0 0 398.462 4.551 50 5 GJBARN CCc1cc(N2CCCC[C@H]2c2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089282893 136175467 /nfs/dbraw/zinc/17/54/67/136175467.db2.gz KWZNQVDDXVRLGF-KRWDZBQOSA-N 0 0 395.488 4.802 50 5 GJBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccc(F)cc1F)CO2 ZINC000002123456 136193391 /nfs/dbraw/zinc/19/33/91/136193391.db2.gz GIROBZVGPDYEDB-UHFFFAOYSA-N 0 0 379.362 4.889 50 5 biogenic GJBARN Cc1nc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)sc1-c1ccccc1 ZINC000065488759 222132094 /nfs/dbraw/zinc/13/20/94/222132094.db2.gz WYMTYHLTACWQTD-UHFFFAOYSA-N 0 0 392.440 4.620 50 5 GJBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2cc(C)cc(C)c2)c1=O ZINC000002434151 570287018 /nfs/dbraw/zinc/28/70/18/570287018.db2.gz USWYDYFEVUSZPD-INIZCTEOSA-N 0 0 397.482 4.871 50 5 GJBARN C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004826107 570294343 /nfs/dbraw/zinc/29/43/43/570294343.db2.gz GKIRACIHGNDGJX-SECBINFHSA-N 0 0 393.877 4.977 50 5 GJBARN O=C(c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000004845984 570316197 /nfs/dbraw/zinc/31/61/97/570316197.db2.gz KGXPAEXNOWUTLY-UHFFFAOYSA-N 0 0 389.249 4.579 50 5 GJBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000004955147 570380473 /nfs/dbraw/zinc/38/04/73/570380473.db2.gz HYIRFRFFQRZQPT-UHFFFAOYSA-N 0 0 378.413 4.728 50 5 GJBARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004983251 570389011 /nfs/dbraw/zinc/38/90/11/570389011.db2.gz XYBPJJNRWAOEFZ-UHFFFAOYSA-N 0 0 380.231 4.754 50 5 GJBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012980415 570403195 /nfs/dbraw/zinc/40/31/95/570403195.db2.gz WTMVUYGCKXATPI-XLNAKTSKSA-N 0 0 379.441 4.581 50 5 GJBARN CC[C@@H](C)c1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000005062923 570409046 /nfs/dbraw/zinc/40/90/46/570409046.db2.gz CLYHNRIEEIKAEI-MRXNPFEDSA-N 0 0 398.532 4.627 50 5 GJBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000005064211 570409065 /nfs/dbraw/zinc/40/90/65/570409065.db2.gz APULGSSWYVQQQA-UHFFFAOYSA-N 0 0 386.363 4.621 50 5 GJBARN O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc1 ZINC000005068161 570410688 /nfs/dbraw/zinc/41/06/88/570410688.db2.gz YRRBRCQTMJUUCO-UHFFFAOYSA-N 0 0 395.422 4.797 50 5 GJBARN Cc1c(NC(=O)c2c3ccccc3nnc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000032953137 570431855 /nfs/dbraw/zinc/43/18/55/570431855.db2.gz PPTGLENXTDQRKA-UHFFFAOYSA-N 0 0 384.395 4.766 50 5 GJBARN Cc1ccc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000005779646 570434303 /nfs/dbraw/zinc/43/43/03/570434303.db2.gz MQVFDULTCVOCJX-UHFFFAOYSA-N 0 0 393.370 4.535 50 5 GJBARN CCCC1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000035793957 570449656 /nfs/dbraw/zinc/44/96/56/570449656.db2.gz KRLSKRXAUWRHRJ-UHFFFAOYSA-N 0 0 392.459 4.515 50 5 GJBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(C)cc2)c1=O ZINC000005215539 570512881 /nfs/dbraw/zinc/51/28/81/570512881.db2.gz FSBWCBZHWIEJTD-MRXNPFEDSA-N 0 0 397.482 4.622 50 5 GJBARN c1ccc(-c2nnc(Cn3c4ccccc4c4nc5ccccc5nc43)o2)cc1 ZINC000002881898 570520088 /nfs/dbraw/zinc/52/00/88/570520088.db2.gz UEWMKLSBIPQCFX-UHFFFAOYSA-N 0 0 377.407 4.836 50 5 GJBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(Oc2cccc([N+](=O)[O-])c2)c1 ZINC000004322828 570559569 /nfs/dbraw/zinc/55/95/69/570559569.db2.gz UAFNQLXHJCROEI-UHFFFAOYSA-N 0 0 379.328 4.548 50 5 GJBARN Cc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247065 570581514 /nfs/dbraw/zinc/58/15/14/570581514.db2.gz SIORQWNDUVGPJM-UHFFFAOYSA-N 0 0 396.468 4.607 50 5 GJBARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004597453 570628486 /nfs/dbraw/zinc/62/84/86/570628486.db2.gz CUWXJOHDVASOOJ-UHFFFAOYSA-N 0 0 392.802 4.815 50 5 GJBARN CCOc1ccc(CN2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036347770 570630368 /nfs/dbraw/zinc/63/03/68/570630368.db2.gz FUXIXUUIGQQZCZ-HSZRJFAPSA-N 0 0 391.471 4.790 50 5 GJBARN CCc1ccc([C@H]2c3cccn3CCCN2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000036348042 570630729 /nfs/dbraw/zinc/63/07/29/570630729.db2.gz NMCDZOWGTWPPNV-QHCPKHFHSA-N 0 0 375.472 4.954 50 5 GJBARN O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000006925645 570706510 /nfs/dbraw/zinc/70/65/10/570706510.db2.gz NZYJUAIPUHZZPK-OVCLIPMQSA-N 0 0 392.795 4.624 50 5 GJBARN Cc1cc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000001157402 570757635 /nfs/dbraw/zinc/75/76/35/570757635.db2.gz XJHWLJNYEDDGPP-UHFFFAOYSA-N 0 0 381.428 4.991 50 5 GJBARN CC(=O)Nc1ccc(OC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000001163266 570759275 /nfs/dbraw/zinc/75/92/75/570759275.db2.gz ZMUSHFXKWUCCHR-UHFFFAOYSA-N 0 0 392.367 4.565 50 5 GJBARN O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000013598169 570762118 /nfs/dbraw/zinc/76/21/18/570762118.db2.gz FTBRUWDIORSYGM-VGOFMYFVSA-N 0 0 387.370 4.603 50 5 GJBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1Br ZINC000001187248 570791239 /nfs/dbraw/zinc/79/12/39/570791239.db2.gz WTERGWTXVZCQOT-UHFFFAOYSA-N 0 0 390.020 4.916 50 5 GJBARN Cc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1Br ZINC000004707070 570842805 /nfs/dbraw/zinc/84/28/05/570842805.db2.gz CTYPFTOOABYPMU-UHFFFAOYSA-N 0 0 383.589 4.599 50 5 GJBARN CNc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000032845436 570852922 /nfs/dbraw/zinc/85/29/22/570852922.db2.gz SDQQEKBXZNEPJU-UHFFFAOYSA-N 0 0 387.486 4.602 50 5 GJBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000012555394 570858462 /nfs/dbraw/zinc/85/84/62/570858462.db2.gz RARYTWRHNLDIDR-UHFFFAOYSA-N 0 0 385.379 4.562 50 5 GJBARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000005737184 570913239 /nfs/dbraw/zinc/91/32/39/570913239.db2.gz QPUMTIYFEPJZFK-OAQYLSRUSA-N 0 0 376.412 4.805 50 5 GJBARN COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000001113781 570931336 /nfs/dbraw/zinc/93/13/36/570931336.db2.gz YSWFNGYVJDPFJC-VOTSOKGWSA-N 0 0 398.640 4.938 50 5 GJBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc(Cc5ccccc5)nc34)c21 ZINC000033326992 570980885 /nfs/dbraw/zinc/98/08/85/570980885.db2.gz SJRINOFEYKGSHS-UHFFFAOYSA-N 0 0 381.411 4.724 50 5 GJBARN O=c1cc(CSc2ncn(-c3ccccc3)n2)c2c(ccc3ccccc32)o1 ZINC000011476030 571047946 /nfs/dbraw/zinc/04/79/46/571047946.db2.gz MJLBGTVRBJCEAY-UHFFFAOYSA-N 0 0 385.448 4.819 50 5 GJBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1cccc(OC(F)F)c1 ZINC000409415605 231204599 /nfs/dbraw/zinc/20/45/99/231204599.db2.gz SHGAAMMUJHBFSL-UHFFFAOYSA-N 0 0 397.337 4.547 50 5 GJBARN Cc1nn(C(=O)c2ccccc2Cl)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001506149 212247861 /nfs/dbraw/zinc/24/78/61/212247861.db2.gz QTUPNVBBPQDHLS-UHFFFAOYSA-N 0 0 387.848 4.901 50 5 GJBARN CCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000001150117 212223294 /nfs/dbraw/zinc/22/32/94/212223294.db2.gz ULRNTYFQCSUJPZ-CSKARUKUSA-N 0 0 387.823 4.639 50 5 GJBARN O=C(Nc1c(F)cc(F)cc1Br)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001097784 212216125 /nfs/dbraw/zinc/21/61/25/212216125.db2.gz YKYQCLYHURUJRJ-UHFFFAOYSA-N 0 0 391.555 4.541 50 5 GJBARN O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000000830427 212187364 /nfs/dbraw/zinc/18/73/64/212187364.db2.gz NFDAYXPKMUAGNK-UHFFFAOYSA-N 0 0 397.774 4.826 50 5 GJBARN O=C(Nc1cccc(C(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000752612 212179161 /nfs/dbraw/zinc/17/91/61/212179161.db2.gz WNFVMNYWRUUZDS-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN CC(C)(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000000675325 212171973 /nfs/dbraw/zinc/17/19/73/212171973.db2.gz UKINYHOHZOUHAC-UHFFFAOYSA-N 0 0 377.238 4.907 50 5 GJBARN O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)cc2c2c1CCCC2 ZINC000000651389 212169505 /nfs/dbraw/zinc/16/95/05/212169505.db2.gz WPJXGBQBIBBJGN-UHFFFAOYSA-N 0 0 385.803 4.812 50 5 GJBARN O=Cc1ccc(OC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001161288 209115483 /nfs/dbraw/zinc/11/54/83/209115483.db2.gz PZQCVLGAIFSKIB-UHFFFAOYSA-N 0 0 379.393 4.778 50 5 GJBARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1C ZINC000001118757 209115243 /nfs/dbraw/zinc/11/52/43/209115243.db2.gz RHZWFWFYHVXGMJ-QFIPXVFZSA-N 0 0 389.407 4.993 50 5 GJBARN CCCc1cc(C(=O)OCC)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000000668997 206314825 /nfs/dbraw/zinc/31/48/25/206314825.db2.gz CDQXOLRKDVHDOL-UHFFFAOYSA-N 0 0 396.852 4.691 50 5 GJBARN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2Br)cc1 ZINC000000828408 206325453 /nfs/dbraw/zinc/32/54/53/206325453.db2.gz PNRWGNIGVKLHTD-UHFFFAOYSA-N 0 0 387.027 4.699 50 5 GJBARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc12 ZINC000000825438 206325883 /nfs/dbraw/zinc/32/58/83/206325883.db2.gz DGASXNNPPALGNX-UHFFFAOYSA-N 0 0 378.413 4.556 50 5 GJBARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000000867422 206328800 /nfs/dbraw/zinc/32/88/00/206328800.db2.gz SIKVDCVEBDVKAG-UHFFFAOYSA-N 0 0 392.440 4.864 50 5 GJBARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000009511516 206330580 /nfs/dbraw/zinc/33/05/80/206330580.db2.gz KWYGFCAQUMNURO-UHFFFAOYSA-N 0 0 398.831 4.877 50 5 GJBARN CC(C)CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000943814 206335774 /nfs/dbraw/zinc/33/57/74/206335774.db2.gz KPWIZFDTGLHHFP-UHFFFAOYSA-N 0 0 390.823 4.703 50 5 GJBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2)c(C)c1 ZINC000001080997 206350548 /nfs/dbraw/zinc/35/05/48/206350548.db2.gz POGYNMCMCOCISB-UHFFFAOYSA-N 0 0 389.411 4.716 50 5 GJBARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001129175 206356074 /nfs/dbraw/zinc/35/60/74/206356074.db2.gz LFGMEKHKRBTDMG-LLVKDONJSA-N 0 0 391.880 4.889 50 5 GJBARN O=[N+]([O-])c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 ZINC000001303081 206372108 /nfs/dbraw/zinc/37/21/08/206372108.db2.gz GKOPXBVURZJNGV-UHFFFAOYSA-N 0 0 388.339 4.906 50 5 aggregator GJBARN O=C(Nc1cccc(Br)c1)c1cccc2nc3ccccc3nc21 ZINC000009910285 206373202 /nfs/dbraw/zinc/37/32/02/206373202.db2.gz UDKXBZVCGVRHIA-UHFFFAOYSA-N 0 0 378.229 4.798 50 5 GJBARN O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(-c2ccccc2)cc1 ZINC000001510867 206384770 /nfs/dbraw/zinc/38/47/70/206384770.db2.gz YAFIJXNFVANDRS-UHFFFAOYSA-N 0 0 386.363 4.621 50 5 GJBARN Cc1cc(C)cc(-n2c3ncn(CC(C)C)c(=O)c3c3nc4ccccc4nc32)c1 ZINC000002251678 206404151 /nfs/dbraw/zinc/40/41/51/206404151.db2.gz KLAXYPVJTNNUCF-UHFFFAOYSA-N 0 0 397.482 4.556 50 5 GJBARN CCCNc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)ccc2o1 ZINC000004709248 206545609 /nfs/dbraw/zinc/54/56/09/206545609.db2.gz AMBCLGRLHXONNQ-UHFFFAOYSA-N 0 0 376.210 4.987 50 5 GJBARN CN1c2ccccc2[C@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O[C@]312 ZINC000004794341 206555369 /nfs/dbraw/zinc/55/53/69/206555369.db2.gz WZPULXTWYBZUOB-SFTDATJTSA-N 0 0 393.399 4.567 50 5 aggregator GJBARN CCc1cccc2c([C@H](CC(=O)N3CCCC3)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006839003 206684574 /nfs/dbraw/zinc/68/45/74/206684574.db2.gz CGWKIQOIXMYMCD-HXUWFJFHSA-N 0 0 391.471 4.783 50 5 GJBARN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015670862 207054544 /nfs/dbraw/zinc/05/45/44/207054544.db2.gz ZTKGSOOEJZYTKI-JOCHJYFZSA-N 0 0 385.423 4.938 50 5 GJBARN COc1ccc(-c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cc1 ZINC000015833792 207063908 /nfs/dbraw/zinc/06/39/08/207063908.db2.gz FSJOBVZZYFHXAU-CQSZACIVSA-N 0 0 394.431 4.557 50 5 GJBARN CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2s1 ZINC000017081464 207085153 /nfs/dbraw/zinc/08/51/53/207085153.db2.gz NTJCHCOYROIEAQ-UHFFFAOYSA-N 0 0 398.444 4.504 50 5 GJBARN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccccc1I ZINC000020436769 207190918 /nfs/dbraw/zinc/19/09/18/207190918.db2.gz DPLJSWVXBYPBJB-UHFFFAOYSA-N 0 0 375.549 4.645 50 5 GJBARN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1c2ccccc2Oc2ccccc21 ZINC000024864353 207296098 /nfs/dbraw/zinc/29/60/98/207296098.db2.gz XNJALOKAUJBIOA-UHFFFAOYSA-N 0 0 382.322 4.749 50 5 GJBARN CCOc1ccc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000040090741 207338069 /nfs/dbraw/zinc/33/80/69/207338069.db2.gz UYWJTBWHTJKKMT-OAQYLSRUSA-N 0 0 376.412 4.513 50 5 GJBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000028289245 207339101 /nfs/dbraw/zinc/33/91/01/207339101.db2.gz OXKCAMMVDXPMDC-HXUWFJFHSA-N 0 0 391.452 4.999 50 5 GJBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(COc3ccc(Cl)cc3)nc12 ZINC000032117686 207391892 /nfs/dbraw/zinc/39/18/92/207391892.db2.gz AVDOSXBNYWYJSQ-UHFFFAOYSA-N 0 0 395.875 4.736 50 5 GJBARN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1c2c(nc1C(F)(F)F)CCCC2 ZINC000089888064 208111778 /nfs/dbraw/zinc/11/17/78/208111778.db2.gz UCIKITWNWWMMHP-UHFFFAOYSA-N 0 0 383.370 4.524 50 5 GJBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCC[C@H]1c1ccc[nH]1 ZINC000095953860 208242427 /nfs/dbraw/zinc/24/24/27/208242427.db2.gz KNDAZNRQUZYYQV-INIZCTEOSA-N 0 0 385.807 4.814 50 5 GJBARN CCc1cccc2c([C@H](CC(=O)N3CCCC3)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000096275696 208300075 /nfs/dbraw/zinc/30/00/75/208300075.db2.gz HHMQWLIMKDJQOX-HXUWFJFHSA-N 0 0 391.471 4.783 50 5 GJBARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1C ZINC000001118754 220474831 /nfs/dbraw/zinc/47/48/31/220474831.db2.gz RHZWFWFYHVXGMJ-JOCHJYFZSA-N 0 0 389.407 4.993 50 5 GJBARN CCCCN1C(=O)c2cccc3c2c1ccc3NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000004088270 220679632 /nfs/dbraw/zinc/67/96/32/220679632.db2.gz WJXCDJIHAWQCOS-UHFFFAOYSA-N 0 0 395.440 4.822 50 5 GJBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1ccccc1 ZINC000004644438 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GJBARN Cc1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000008115162 221027433 /nfs/dbraw/zinc/02/74/33/221027433.db2.gz QLZHEGSMEUHHMT-HXUWFJFHSA-N 0 0 378.453 4.753 50 5 GJBARN O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000009192290 221074106 /nfs/dbraw/zinc/07/41/06/221074106.db2.gz VAFQHAXPYFIWGV-UHFFFAOYSA-N 0 0 377.400 4.707 50 5 GJBARN Nc1nc(Nc2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000009358873 221078724 /nfs/dbraw/zinc/07/87/24/221078724.db2.gz LOTCSBVODMXVBU-UHFFFAOYSA-N 0 0 391.218 4.761 50 5 GJBARN Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000012534933 221203118 /nfs/dbraw/zinc/20/31/18/221203118.db2.gz QYYFHBZCJBTTSK-MRXNPFEDSA-N 0 0 394.328 4.688 50 5 GJBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nccn1Cc1ccccc1 ZINC000012551574 221204905 /nfs/dbraw/zinc/20/49/05/221204905.db2.gz CQNBWKUWCYFPPC-UHFFFAOYSA-N 0 0 390.365 4.513 50 5 GJBARN C[C@H](Oc1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000012653939 221217208 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CCOc1ccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])cc1 ZINC000005092664 570415542 /nfs/dbraw/zinc/41/55/42/570415542.db2.gz RUYKYWQJVKYENF-UHFFFAOYSA-N 0 0 397.435 4.654 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1C1N(c2ccccc2)CCN1c1ccccc1 ZINC000002027253 570488490 /nfs/dbraw/zinc/48/84/90/570488490.db2.gz XHTNFZHNDXRWBI-UHFFFAOYSA-N 0 0 375.428 4.629 50 5 GJBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cccc(Cl)c1 ZINC000006720319 570489729 /nfs/dbraw/zinc/48/97/29/570489729.db2.gz KWRIYOWTLOOPIP-UHFFFAOYSA-N 0 0 376.843 4.755 50 5 GJBARN O=c1c2ccccc2oc2nc(-c3ccccc3F)n3c4ccccc4nc3c12 ZINC000005207737 570506490 /nfs/dbraw/zinc/50/64/90/570506490.db2.gz DWEBPNMQQNTTJS-UHFFFAOYSA-N 0 0 381.366 4.948 50 5 GJBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccccc2)c([N+](=O)[O-])c1Oc1ccccc1 ZINC000008385796 570530636 /nfs/dbraw/zinc/53/06/36/570530636.db2.gz CVKQDOWEAOSVKH-UHFFFAOYSA-N 0 0 397.299 4.996 50 5 GJBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000005428436 570589208 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WKZSOFYMKRLXSZ-MRXNPFEDSA-N 0 0 376.412 4.976 50 5 GJBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000005869404 570799505 /nfs/dbraw/zinc/79/95/05/570799505.db2.gz MNCUIAVOLJVMEB-VIFPVBQESA-N 0 0 388.729 4.673 50 5 GJBARN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004676815 570822916 /nfs/dbraw/zinc/82/29/16/570822916.db2.gz FUFCCRGHPFIISD-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc(Br)cc3)nc12 ZINC000004678268 570824190 /nfs/dbraw/zinc/82/41/90/570824190.db2.gz GLOAQRVCXBQLDL-UHFFFAOYSA-N 0 0 397.232 4.678 50 5 GJBARN O=[N+]([O-])c1ccccc1N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000012515257 570825182 /nfs/dbraw/zinc/82/51/82/570825182.db2.gz YDPWIWJIRDKXPP-UHFFFAOYSA-N 0 0 384.823 4.682 50 5 GJBARN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc2ccccc2o1 ZINC000012543104 570843659 /nfs/dbraw/zinc/84/36/59/570843659.db2.gz DRPYAMBDCBIFEJ-MRXNPFEDSA-N 0 0 396.446 4.778 50 5 GJBARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004558135 570864443 /nfs/dbraw/zinc/86/44/43/570864443.db2.gz AGUITQCXLODUFM-UHFFFAOYSA-N 0 0 379.850 4.589 50 5 GJBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc2ccccc2c1 ZINC000004079013 570931057 /nfs/dbraw/zinc/93/10/57/570931057.db2.gz GAPBPCKBGMBNSG-UHFFFAOYSA-N 0 0 376.397 4.519 50 5 GJBARN COc1cc2c(c([N+](=O)[O-])c1)O[C@]13C(=C2)CCC[C@]1(C)c1ccccc1N3C ZINC000004794566 570993426 /nfs/dbraw/zinc/99/34/26/570993426.db2.gz PEKCKAVUMDUENJ-FGZHOGPDSA-N 0 0 378.428 4.667 50 5 GJBARN COc1cc2c(c([N+](=O)[O-])c1)O[C@]13C(=C2)CCC[C@@]1(C)c1ccccc1N3C ZINC000004794562 570993688 /nfs/dbraw/zinc/99/36/88/570993688.db2.gz PEKCKAVUMDUENJ-FCHUYYIVSA-N 0 0 378.428 4.667 50 5 GJBARN O=[N+]([O-])c1ccccc1CN1CCCn2cccc2[C@H]1c1cccc(F)c1F ZINC000037522504 571023975 /nfs/dbraw/zinc/02/39/75/571023975.db2.gz NYLOSNDJVXHPFJ-OAQYLSRUSA-N 0 0 383.398 4.670 50 5 GJBARN O=[N+]([O-])c1cccc([C@H]2c3cccn3CCCN2Cc2cccc(F)c2F)c1 ZINC000037523500 571025172 /nfs/dbraw/zinc/02/51/72/571025172.db2.gz WOPDYYUQMSOFHD-NRFANRHFSA-N 0 0 383.398 4.670 50 5 GJBARN Cc1sc2ncnc(SCCOc3cc(C)ccc3[N+](=O)[O-])c2c1C ZINC000001895278 212258468 /nfs/dbraw/zinc/25/84/68/212258468.db2.gz ITXJKXHLXNULAH-UHFFFAOYSA-N 0 0 375.475 4.696 50 5 GJBARN Cc1ccc(C)c(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000001517416 212249575 /nfs/dbraw/zinc/24/95/75/212249575.db2.gz OZHYVKWKHYBWMY-UHFFFAOYSA-N 0 0 388.379 4.805 50 5 GJBARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000001315947 212235129 /nfs/dbraw/zinc/23/51/29/212235129.db2.gz SVTJIRHYFZIFGV-SFHVURJKSA-N 0 0 396.443 4.529 50 5 GJBARN CC1(C)C(=O)O[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1=O ZINC000001316005 212235148 /nfs/dbraw/zinc/23/51/48/212235148.db2.gz NXLUMXTWTSVDNI-GOSISDBHSA-N 0 0 396.443 4.529 50 5 GJBARN O=[N+]([O-])c1ccc(Oc2cccc3cccnc32)c(I)c1 ZINC000001216395 212229513 /nfs/dbraw/zinc/22/95/13/212229513.db2.gz IJTYLRFVONQGLM-UHFFFAOYSA-N 0 0 392.152 4.540 50 5 GJBARN Cc1ccc(C)c(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000001170797 212225383 /nfs/dbraw/zinc/22/53/83/212225383.db2.gz XFSUUVRGOFXATI-UHFFFAOYSA-N 0 0 388.379 4.805 50 5 GJBARN CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(Oc3ccc(C(C)=O)cc3)n2)cc1 ZINC000001046451 212209922 /nfs/dbraw/zinc/20/99/22/212209922.db2.gz VIEFMXGRUHDNBA-UHFFFAOYSA-N 0 0 392.367 4.980 50 5 GJBARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000000989719 212202386 /nfs/dbraw/zinc/20/23/86/212202386.db2.gz HTOCCJWIRNUJIU-UHFFFAOYSA-N 0 0 377.331 4.794 50 5 GJBARN Cc1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1C ZINC000000842486 212187851 /nfs/dbraw/zinc/18/78/51/212187851.db2.gz RMCDXEBSHGIIMY-UHFFFAOYSA-N 0 0 388.379 4.805 50 5 GJBARN CC(=O)c1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001144005 209116162 /nfs/dbraw/zinc/11/61/62/209116162.db2.gz YOXPMGMTRRPJST-UHFFFAOYSA-N 0 0 377.352 4.809 50 5 GJBARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)o1 ZINC000238937422 206280331 /nfs/dbraw/zinc/28/03/31/206280331.db2.gz VGDNVYIZLTYGJF-RXVVDRJESA-N 0 0 375.384 4.739 50 5 GJBARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000000826461 206325485 /nfs/dbraw/zinc/32/54/85/206325485.db2.gz JHFIEDFSKDOOHA-UHFFFAOYSA-N 0 0 377.331 4.794 50 5 GJBARN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000000849441 206327647 /nfs/dbraw/zinc/32/76/47/206327647.db2.gz NCDMXFKAZBHCOH-UHFFFAOYSA-N 0 0 383.747 4.902 50 5 GJBARN Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000001071116 206348188 /nfs/dbraw/zinc/34/81/88/206348188.db2.gz RHVXWMHMJCASNC-UHFFFAOYSA-N 0 0 382.763 4.929 50 5 GJBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Oc2ccccc2Cl)cc1 ZINC000001134760 206356858 /nfs/dbraw/zinc/35/68/58/206356858.db2.gz HPEJKMIBHRGPSR-UHFFFAOYSA-N 0 0 394.770 4.841 50 5 GJBARN CSc1ccc(CC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 ZINC000010252311 206376050 /nfs/dbraw/zinc/37/60/50/206376050.db2.gz HKLAOGSAXDRTPD-UHFFFAOYSA-N 0 0 391.499 4.683 50 5 GJBARN Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001136625 206358891 /nfs/dbraw/zinc/35/88/91/206358891.db2.gz KEHBDLMRSZHVFH-UHFFFAOYSA-N 0 0 390.395 4.513 50 5 GJBARN O=C(Nc1ccc(OC(F)(F)C(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001211124 206368426 /nfs/dbraw/zinc/36/84/26/206368426.db2.gz KGESGYBRRPZYNA-UHFFFAOYSA-N 0 0 392.692 4.737 50 5 GJBARN CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OCC ZINC000003430892 206479836 /nfs/dbraw/zinc/47/98/36/206479836.db2.gz KODKXMIHFBGYML-GFCCVEGCSA-N 0 0 392.839 4.537 50 5 GJBARN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000004457102 206521403 /nfs/dbraw/zinc/52/14/03/206521403.db2.gz HVBVBFGKIGZYOH-HMHNVIDESA-N 0 0 399.428 4.617 50 5 GJBARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000004689084 206542910 /nfs/dbraw/zinc/54/29/10/206542910.db2.gz RECVPWSTOIKSJQ-UHFFFAOYSA-N 0 0 375.595 4.573 50 5 GJBARN Cc1cccc(C2=N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O2)c1 ZINC000004905729 206570039 /nfs/dbraw/zinc/57/00/39/206570039.db2.gz GURJNFAISGSHND-UNOMPAQXSA-N 0 0 388.379 4.816 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000004795370 206556202 /nfs/dbraw/zinc/55/62/02/206556202.db2.gz AAKILRBNCAPBIL-UHFFFAOYSA-N 0 0 377.400 4.842 50 5 GJBARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004832061 206559192 /nfs/dbraw/zinc/55/91/92/206559192.db2.gz UUPGZTUFHUSODS-UHFFFAOYSA-N 0 0 390.566 4.716 50 5 GJBARN COc1ccc(-c2nc3oc4ccccc4c(=O)c3c3nc4ccccc4n32)cc1 ZINC000005207495 206599634 /nfs/dbraw/zinc/59/96/34/206599634.db2.gz DIGOXFAVEFHPRX-UHFFFAOYSA-N 0 0 393.402 4.818 50 5 GJBARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006979862 206698016 /nfs/dbraw/zinc/69/80/16/206698016.db2.gz CWSUJPYTAIASAJ-UHFFFAOYSA-N 0 0 394.456 4.571 50 5 GJBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1 ZINC000024542560 207291944 /nfs/dbraw/zinc/29/19/44/207291944.db2.gz GREVAPLATMTCGW-UHFFFAOYSA-N 0 0 390.439 4.530 50 5 GJBARN O=[N+]([O-])c1ccc2c(c1)C(=C(Cl)Cl)O[C@@H](C(Cl)(Cl)Cl)O2 ZINC000025758150 207306310 /nfs/dbraw/zinc/30/63/10/207306310.db2.gz JBMFMIXAZCTFGE-VIFPVBQESA-N 0 0 379.410 4.804 50 5 GJBARN Cc1ccc(OCc2ccc(C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000025836360 207307158 /nfs/dbraw/zinc/30/71/58/207307158.db2.gz NCHBNJFANKWBDK-INIZCTEOSA-N 0 0 394.427 4.908 50 5 GJBARN CCCCOc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)no2)cc1 ZINC000061997104 207792543 /nfs/dbraw/zinc/79/25/43/207792543.db2.gz LRKMJUUASDJRAA-UHFFFAOYSA-N 0 0 395.415 4.989 50 5 GJBARN COC(=O)c1sc([N+](=O)[O-])cc1O[C@H](C)c1ccccc1C(F)(F)F ZINC000085221431 208099816 /nfs/dbraw/zinc/09/98/16/208099816.db2.gz KLEJCIQBFZNRSX-MRVPVSSYSA-N 0 0 375.324 4.602 50 5 GJBARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000004072196 208534709 /nfs/dbraw/zinc/53/47/09/208534709.db2.gz CCRVXDDIRBTZIQ-UHFFFAOYSA-N 0 0 395.227 4.672 50 5 GJBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000005292648 208667116 /nfs/dbraw/zinc/66/71/16/208667116.db2.gz MPYBHNRCEZRQMR-VIFPVBQESA-N 0 0 387.745 4.706 50 5 GJBARN C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000012750143 208774685 /nfs/dbraw/zinc/77/46/85/208774685.db2.gz IMLOYHFQSHGRDR-ZDUSSCGKSA-N 0 0 395.381 4.683 50 5 GJBARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000001133185 220477280 /nfs/dbraw/zinc/47/72/80/220477280.db2.gz LIRKKIJSKVLONE-GETOMWPZSA-N 0 0 383.473 4.635 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000004258307 533142263 /nfs/dbraw/zinc/14/22/63/533142263.db2.gz VLQNMRKJZFXHOG-OAHLLOKOSA-N 0 0 392.411 4.676 50 5 GJBARN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004038393 220674373 /nfs/dbraw/zinc/67/43/73/220674373.db2.gz ZFJBWCLRKZHAKJ-UHFFFAOYSA-N 0 0 390.439 4.938 50 5 GJBARN CCCCN(CCCC)c1nc(Cl)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000004179490 220690569 /nfs/dbraw/zinc/69/05/69/220690569.db2.gz COPFYMZBZKQDPH-UHFFFAOYSA-N 0 0 378.864 4.583 50 5 GJBARN O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1cccc([N+](=O)[O-])c1 ZINC000004310878 220702844 /nfs/dbraw/zinc/70/28/44/220702844.db2.gz OBEPJNWJXYAAQH-UHFFFAOYSA-N 0 0 377.787 4.614 50 5 GJBARN COc1ccccc1CNc1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000004668182 220743337 /nfs/dbraw/zinc/74/33/37/220743337.db2.gz BOKQBHPVXOMICA-UHFFFAOYSA-N 0 0 391.427 4.776 50 5 GJBARN CCc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000004668665 220744117 /nfs/dbraw/zinc/74/41/17/220744117.db2.gz IKFMJUARIZGWDO-HOTGVXAUSA-N 0 0 381.476 4.892 50 5 GJBARN Cc1ccc(Nc2cc(N3CCC[C@H](C)C3)c3nonc3c2[N+](=O)[O-])cc1C ZINC000004817228 220768762 /nfs/dbraw/zinc/76/87/62/220768762.db2.gz CPMXZRIFIUEVFD-LBPRGKRZSA-N 0 0 381.436 4.728 50 5 GJBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2cccnc2)cc1Cl ZINC000004872866 220781942 /nfs/dbraw/zinc/78/19/42/220781942.db2.gz OXWMAPYAXGSTOP-UHFFFAOYSA-N 0 0 396.834 4.816 50 5 aggregator GJBARN C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2S1 ZINC000006062114 220918209 /nfs/dbraw/zinc/91/82/09/220918209.db2.gz HFOLOZYMIJNQTE-LBPRGKRZSA-N 0 0 392.864 4.545 50 5 GJBARN c1cc2c(cc1O[C@@H]1CCCCO1)nnc1cc(O[C@@H]3CCCCO3)ccc12 ZINC000252551331 209036783 /nfs/dbraw/zinc/03/67/83/209036783.db2.gz UCJCXWLJKXAHSH-FGZHOGPDSA-N 0 0 380.444 4.594 50 5 GJBARN COc1ccc(/C=C\C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 ZINC000006678322 220949615 /nfs/dbraw/zinc/94/96/15/220949615.db2.gz SEPGAQRBHCTMSE-JYRVWZFOSA-N 0 0 386.403 4.711 50 5 GJBARN Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccc(Cl)cc32)c1 ZINC000006720481 220953487 /nfs/dbraw/zinc/95/34/87/220953487.db2.gz AIPXVUPAIVIRGH-UHFFFAOYSA-N 0 0 376.843 4.755 50 5 GJBARN Cc1cccc(C(C)C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012511636 221200594 /nfs/dbraw/zinc/20/05/94/221200594.db2.gz HSENDMMGVIPRSW-UHFFFAOYSA-N 0 0 381.476 4.882 50 5 GJBARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000012652110 221217385 /nfs/dbraw/zinc/21/73/85/221217385.db2.gz LJPSUURMXWKBEB-UHFFFAOYSA-N 0 0 394.456 4.926 50 5 GJBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000012776607 221230062 /nfs/dbraw/zinc/23/00/62/221230062.db2.gz MGWHWHHJJXXSGN-CQSZACIVSA-N 0 0 397.406 4.541 50 5 GJBARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000014910444 221319126 /nfs/dbraw/zinc/31/91/26/221319126.db2.gz ROYAJKVIFSFIOJ-UHFFFAOYSA-N 0 0 384.823 4.577 50 5 GJBARN COc1ccc(Cl)cc1NC(=O)c1cc2c(ccc3ccccc32)oc1=N ZINC000017077499 221377747 /nfs/dbraw/zinc/37/77/47/221377747.db2.gz NRCXEAYMQBTMPA-UHFFFAOYSA-N 0 0 378.815 4.980 50 5 GJBARN CC(=O)Nc1cc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c(F)cc1[N+](=O)[O-] ZINC000040135278 534698301 /nfs/dbraw/zinc/69/83/01/534698301.db2.gz BXDGAUDTRMRBOJ-HNNXBMFYSA-N 0 0 396.422 4.558 50 5 GJBARN CCCc1cc(=O)oc2cc(C)cc(OCc3cc([N+](=O)[O-])ccc3OC)c12 ZINC000001164278 528570387 /nfs/dbraw/zinc/57/03/87/528570387.db2.gz DZKLELTXUSDUDJ-UHFFFAOYSA-N 0 0 383.400 4.550 50 5 GJBARN COc1ccc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc1F ZINC000012878144 570275059 /nfs/dbraw/zinc/27/50/59/570275059.db2.gz BRIWLVQTGAHUDT-UHFFFAOYSA-N 0 0 388.354 4.811 50 5 GJBARN COc1ccc(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc12 ZINC000004846125 570316188 /nfs/dbraw/zinc/31/61/88/570316188.db2.gz UUGPMXHSJOMVBH-UHFFFAOYSA-N 0 0 376.412 4.588 50 5 GJBARN O=[N+]([O-])c1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)cc1 ZINC000004860710 570350085 /nfs/dbraw/zinc/35/00/85/570350085.db2.gz VSPCYHKNOQWGQC-NRFANRHFSA-N 0 0 388.383 4.859 50 5 GJBARN Cc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000006309214 570367268 /nfs/dbraw/zinc/36/72/68/570367268.db2.gz XMQOHNAWIWNDJP-UHFFFAOYSA-N 0 0 378.413 4.532 50 5 GJBARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000026603727 570387609 /nfs/dbraw/zinc/38/76/09/570387609.db2.gz LUEVDLSNGGCPGE-QGZVFWFLSA-N 0 0 394.258 4.505 50 5 GJBARN C[C@H]1CCCN(c2cc(Nc3ccccc3Cl)c([N+](=O)[O-])c3nonc32)C1 ZINC000005024756 570399282 /nfs/dbraw/zinc/39/92/82/570399282.db2.gz YKCQCHFXGLUNJZ-NSHDSACASA-N 0 0 387.827 4.764 50 5 GJBARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000006541052 570472256 /nfs/dbraw/zinc/47/22/56/570472256.db2.gz MQQBPGATNOIXAI-GFCCVEGCSA-N 0 0 390.823 4.557 50 5 GJBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000006566474 570479196 /nfs/dbraw/zinc/47/91/96/570479196.db2.gz FQIOKMQSTOHOQO-SCUMNGBJSA-N 0 0 397.519 4.530 50 5 GJBARN Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000006597788 570490172 /nfs/dbraw/zinc/49/01/72/570490172.db2.gz LNGIFNOIKLJEGN-UHFFFAOYSA-N 0 0 382.489 4.980 50 5 GJBARN CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2c(cccc2C)s1 ZINC000006627816 570510334 /nfs/dbraw/zinc/51/03/34/570510334.db2.gz NGHQRYGZUDXWQZ-UHFFFAOYSA-N 0 0 375.837 4.833 50 5 GJBARN CCn1c2ccccc2nc1S[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006652848 570519019 /nfs/dbraw/zinc/51/90/19/570519019.db2.gz GRKQNZSNWYCSOY-LBPRGKRZSA-N 0 0 395.444 4.868 50 5 GJBARN CSc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc21 ZINC000005299269 570551940 /nfs/dbraw/zinc/55/19/40/570551940.db2.gz USARMQWETDPAGZ-UHFFFAOYSA-N 0 0 379.850 4.832 50 5 GJBARN CCc1c(C)sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C(=O)OC(C)C ZINC000005477155 570607175 /nfs/dbraw/zinc/60/71/75/570607175.db2.gz MGWLOVWZAJCVON-UHFFFAOYSA-N 0 0 390.461 4.653 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000004599625 570621354 /nfs/dbraw/zinc/62/13/54/570621354.db2.gz VPBIVYIPFKXXRJ-UHFFFAOYSA-N 0 0 376.412 4.764 50 5 GJBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@H]2c2ccc(F)cc2F)c1 ZINC000036348164 570631053 /nfs/dbraw/zinc/63/10/53/570631053.db2.gz KUNANQMXVCRIBA-OAQYLSRUSA-N 0 0 383.398 4.670 50 5 GJBARN CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006839002 570640075 /nfs/dbraw/zinc/64/00/75/570640075.db2.gz CGWKIQOIXMYMCD-FQEVSTJZSA-N 0 0 391.471 4.783 50 5 GJBARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005568350 570645793 /nfs/dbraw/zinc/64/57/93/570645793.db2.gz WDSJNRQXKFXBOS-UHFFFAOYSA-N 0 0 390.566 4.716 50 5 GJBARN Cc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1[N+](=O)[O-] ZINC000005578867 570659043 /nfs/dbraw/zinc/65/90/43/570659043.db2.gz PACYMQCTPDULMX-UHFFFAOYSA-N 0 0 375.356 4.557 50 5 GJBARN O=c1c2ccsc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000006907525 570698300 /nfs/dbraw/zinc/69/83/00/570698300.db2.gz DHIBTPJPNMTOEI-UHFFFAOYSA-N 0 0 395.465 4.648 50 5 GJBARN O=c1c2cc(F)c(F)c(F)c2sc2nc3cc(Cl)c(Cl)cc3n21 ZINC000004625343 570702368 /nfs/dbraw/zinc/70/23/68/570702368.db2.gz RNENKFSAUAOSGK-UHFFFAOYSA-N 0 0 375.158 4.787 50 5 GJBARN Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1[N+](=O)[O-] ZINC000004472935 570798501 /nfs/dbraw/zinc/79/85/01/570798501.db2.gz UZIVUMQBTVNMIE-NSIKDUERSA-N 0 0 377.183 4.555 50 5 GJBARN Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000032772704 570805907 /nfs/dbraw/zinc/80/59/07/570805907.db2.gz CJYVXBQKHVAQAK-QGZVFWFLSA-N 0 0 381.457 4.880 50 5 GJBARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000012527132 570831731 /nfs/dbraw/zinc/83/17/31/570831731.db2.gz ZEPXLNYWAYRTJJ-UHFFFAOYSA-N 0 0 385.367 4.528 50 5 GJBARN O=C(O[C@@H]1CCCCC1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000007433118 570843840 /nfs/dbraw/zinc/84/38/40/570843840.db2.gz PPLKZUYKWRISFF-GOSISDBHSA-N 0 0 389.791 4.709 50 5 GJBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000104238143 570898646 /nfs/dbraw/zinc/89/86/46/570898646.db2.gz GRGSMPGWYSXKSE-UHFFFAOYSA-N 0 0 380.316 4.822 50 5 GJBARN O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000100045995 570898739 /nfs/dbraw/zinc/89/87/39/570898739.db2.gz IGBYQHMFVDFJBZ-LZYBPNLTSA-N 0 0 389.323 4.981 50 5 GJBARN O=C(Oc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1)c1ccccc1 ZINC000004576235 570904656 /nfs/dbraw/zinc/90/46/56/570904656.db2.gz YTUBQHCMTANOGO-UHFFFAOYSA-N 0 0 387.351 4.531 50 5 GJBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC000004071765 570929414 /nfs/dbraw/zinc/92/94/14/570929414.db2.gz RLFATRAZKWUPJL-UHFFFAOYSA-N 0 0 393.346 4.989 50 5 GJBARN O=C(Nc1cccc(N2CCCCCC2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000170637020 570937250 /nfs/dbraw/zinc/93/72/50/570937250.db2.gz NATPYWSOZFPBSO-UHFFFAOYSA-N 0 0 378.432 4.709 50 5 GJBARN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cc1ccccc1 ZINC000012041705 570957123 /nfs/dbraw/zinc/95/71/23/570957123.db2.gz MMPAXHBGPGWBCT-UHFFFAOYSA-N 0 0 376.412 4.755 50 5 GJBARN COc1cc2c(c([N+](=O)[O-])c1)O[C@@]13C(=C2)CCC[C@@]1(C)c1ccccc1N3C ZINC000004794549 570993565 /nfs/dbraw/zinc/99/35/65/570993565.db2.gz PEKCKAVUMDUENJ-VXKWHMMOSA-N 0 0 378.428 4.667 50 5 GJBARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000004819582 570998184 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O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000001164564 209115862 /nfs/dbraw/zinc/11/58/62/209115862.db2.gz YOKNFNOBKUUSQY-UHFFFAOYSA-N 0 0 388.590 4.595 50 5 GJBARN Cc1ccc(C(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C ZINC000001121705 209115082 /nfs/dbraw/zinc/11/50/82/209115082.db2.gz GYISSCMJHJBLFH-JOCHJYFZSA-N 0 0 389.407 4.993 50 5 GJBARN CNc1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000096792178 206301782 /nfs/dbraw/zinc/30/17/82/206301782.db2.gz YAMQFJJCBTYIBQ-OWBHPGMISA-N 0 0 398.422 4.506 50 5 GJBARN Cn1c(Sc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccccc1 ZINC000000708802 206317800 /nfs/dbraw/zinc/31/78/00/206317800.db2.gz NFXCSNZGUWSLTN-UHFFFAOYSA-N 0 0 380.351 4.560 50 5 GJBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1Cl ZINC000001060320 206347319 /nfs/dbraw/zinc/34/73/19/206347319.db2.gz ZEMIOKYJWKZSSX-UHFFFAOYSA-N 0 0 390.770 4.998 50 5 GJBARN CCc1ccccc1NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001127726 206356094 /nfs/dbraw/zinc/35/60/94/206356094.db2.gz SFIYUNDGKVSNCR-UHFFFAOYSA-N 0 0 389.411 4.662 50 5 GJBARN O=C(Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000001133254 206357210 /nfs/dbraw/zinc/35/72/10/206357210.db2.gz PRLQEDUKUANZNY-UHFFFAOYSA-N 0 0 385.379 4.667 50 5 GJBARN Cc1ccc2oc3nc(C)c(C(=O)NCc4ccc(Cl)cc4)cc3c(=O)c2c1 ZINC000001390941 206377922 /nfs/dbraw/zinc/37/79/22/206377922.db2.gz FJLPAQJLSITQDZ-UHFFFAOYSA-N 0 0 392.842 4.541 50 5 GJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000001167751 206362593 /nfs/dbraw/zinc/36/25/93/206362593.db2.gz IUARPODBLMDRIG-MDZDMXLPSA-N 0 0 393.424 4.561 50 5 aggregator GJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000001176874 206364151 /nfs/dbraw/zinc/36/41/51/206364151.db2.gz HQVFUAAMKXQUBP-IZZDOVSWSA-N 0 0 393.424 4.561 50 5 GJBARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001219130 206369012 /nfs/dbraw/zinc/36/90/12/206369012.db2.gz TVHTWJOJOGWUQE-FQEVSTJZSA-N 0 0 377.400 4.831 50 5 GJBARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])s1 ZINC000003187566 206461517 /nfs/dbraw/zinc/46/15/17/206461517.db2.gz BXDSPDAWDBNJAD-UHFFFAOYSA-N 0 0 397.437 4.891 50 5 GJBARN CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000004313600 206512829 /nfs/dbraw/zinc/51/28/29/206512829.db2.gz ZAOILEJTBVCGRG-UHFFFAOYSA-N 0 0 392.411 4.825 50 5 GJBARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004790941 206555462 /nfs/dbraw/zinc/55/54/62/206555462.db2.gz SQLYMDWRVNLJAQ-UHFFFAOYSA-N 0 0 390.374 4.609 50 5 GJBARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005193271 206598016 /nfs/dbraw/zinc/59/80/16/206598016.db2.gz LOHVSOWZEWODEZ-UHFFFAOYSA-N 0 0 385.832 4.723 50 5 GJBARN CC(=O)c1cccc(NC(=O)[C@H](Oc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000005869428 206631287 /nfs/dbraw/zinc/63/12/87/206631287.db2.gz JHPSAFMXESONAM-OAQYLSRUSA-N 0 0 390.395 4.556 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCC[C@@H]1c1cccs1 ZINC000015867089 207066192 /nfs/dbraw/zinc/06/61/92/207066192.db2.gz UOBNVOYGWGKOEJ-OAHLLOKOSA-N 0 0 375.450 4.814 50 5 GJBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)c([N+](=O)[O-])c1 ZINC000027570006 207327213 /nfs/dbraw/zinc/32/72/13/207327213.db2.gz CPKQCCAPFBGATC-UHFFFAOYSA-N 0 0 381.131 4.527 50 5 GJBARN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000040159969 207360758 /nfs/dbraw/zinc/36/07/58/207360758.db2.gz MPYBHNRCEZRQMR-SECBINFHSA-N 0 0 387.745 4.706 50 5 GJBARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000096276551 208300081 /nfs/dbraw/zinc/30/00/81/208300081.db2.gz MBPWWLOBHISOCV-MRXNPFEDSA-N 0 0 397.862 4.874 50 5 GJBARN CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000096278165 208303392 /nfs/dbraw/zinc/30/33/92/208303392.db2.gz AEPVCZWHUZXNNQ-IBGZPJMESA-N 0 0 391.471 4.783 50 5 GJBARN CC(C)CCSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn21 ZINC000002969121 220590569 /nfs/dbraw/zinc/59/05/69/220590569.db2.gz VRXISWJHNPCKIN-UHFFFAOYSA-N 0 0 393.472 4.991 50 5 GJBARN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])C1 ZINC000004668098 220743322 /nfs/dbraw/zinc/74/33/22/220743322.db2.gz YAPOZWZUAYUFIB-BETUJISGSA-N 0 0 389.402 4.608 50 5 GJBARN COc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000004828980 220771022 /nfs/dbraw/zinc/77/10/22/220771022.db2.gz RATWSNZYLPJVTJ-UHFFFAOYSA-N 0 0 389.717 4.920 50 5 GJBARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005704911 220892361 /nfs/dbraw/zinc/89/23/61/220892361.db2.gz GFYLRUDZQSXRFC-UHFFFAOYSA-N 0 0 386.363 4.621 50 5 GJBARN CSc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000006083345 220919271 /nfs/dbraw/zinc/91/92/71/220919271.db2.gz TYDJIJSAYMQXGP-UHFFFAOYSA-N 0 0 388.779 4.824 50 5 GJBARN C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000008239295 221033106 /nfs/dbraw/zinc/03/31/06/221033106.db2.gz YVRUPDSJNLNMER-JTQLQIEISA-N 0 0 389.205 4.595 50 5 GJBARN O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)Nc1cccc(F)c1 ZINC000007978648 221017763 /nfs/dbraw/zinc/01/77/63/221017763.db2.gz KGPSXOXCMVLADN-UHFFFAOYSA-N 0 0 380.379 4.528 50 5 GJBARN COc1ccc2oc(-c3csc(NC(=O)c4ccccc4[N+](=O)[O-])n3)cc2c1 ZINC000010883140 221108068 /nfs/dbraw/zinc/10/80/68/221108068.db2.gz AZUSOPHYSNFNND-UHFFFAOYSA-N 0 0 395.396 4.725 50 5 GJBARN Cc1cc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)ccc1[N+](=O)[O-] ZINC000009668727 221089060 /nfs/dbraw/zinc/08/90/60/221089060.db2.gz ZJEOKDZJDMDXRS-UHFFFAOYSA-N 0 0 387.395 4.641 50 5 GJBARN CCCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000011250497 221113313 /nfs/dbraw/zinc/11/33/13/221113313.db2.gz LFRDTKWTWPYWCM-UHFFFAOYSA-N 0 0 386.451 4.582 50 5 GJBARN Cc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000013856547 221292147 /nfs/dbraw/zinc/29/21/47/221292147.db2.gz ZENLAIGRENUFOS-UHFFFAOYSA-N 0 0 391.379 4.735 50 5 GJBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Oc3ccccc3)cc2)c2nonc21 ZINC000016310097 221361084 /nfs/dbraw/zinc/36/10/84/221361084.db2.gz JPUSHPXDJXMAKM-UHFFFAOYSA-N 0 0 393.315 4.575 50 5 GJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000017077173 221376522 /nfs/dbraw/zinc/37/65/22/221376522.db2.gz REWSIKZGZBNWIR-UHFFFAOYSA-N 0 0 377.400 4.515 50 5 GJBARN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 ZINC000017081462 221378952 /nfs/dbraw/zinc/37/89/52/221378952.db2.gz JICAWPPGFBTLHM-UHFFFAOYSA-N 0 0 398.444 4.504 50 5 GJBARN CCCCNc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000020897778 221518178 /nfs/dbraw/zinc/51/81/78/221518178.db2.gz ZVXFADOVFPGSAN-UHFFFAOYSA-N 0 0 398.419 4.541 50 5 GJBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccc(F)c(F)c1)CO2 ZINC000002124603 136193502 /nfs/dbraw/zinc/19/35/02/136193502.db2.gz VHGIHFIEUPZMOJ-UHFFFAOYSA-N 0 0 379.362 4.889 50 5 biogenic GJBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000058761918 222056537 /nfs/dbraw/zinc/05/65/37/222056537.db2.gz ZRQQISXIICHPLR-UHFFFAOYSA-N 0 0 391.427 4.542 50 5 GJBARN CCOc1ccc(OCC)c(NC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000062582068 222066269 /nfs/dbraw/zinc/06/62/69/222066269.db2.gz JSIRJNNYXKATKH-AWEZNQCLSA-N 0 0 387.436 4.617 50 5 GJBARN O=Cc1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1 ZINC000006057542 570228904 /nfs/dbraw/zinc/22/89/04/570228904.db2.gz HGTMHPSQPBRRNB-UHFFFAOYSA-N 0 0 395.227 4.650 50 5 GJBARN COc1cc(-c2nc3ccccc3c3nc4ccccc4n32)cc(OC)c1OC ZINC000001506365 570252418 /nfs/dbraw/zinc/25/24/18/570252418.db2.gz RHFJCNSYSXEIDN-UHFFFAOYSA-N 0 0 385.423 4.729 50 5 GJBARN CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000001514695 570264021 /nfs/dbraw/zinc/26/40/21/570264021.db2.gz YADQPLKITLAHFN-UHFFFAOYSA-N 0 0 377.809 4.509 50 5 GJBARN Cc1cc(C(F)F)nc2sc3c4nc(NC5CC5)sc4c(=O)[nH]c3c21 ZINC000020607469 570271288 /nfs/dbraw/zinc/27/12/88/570271288.db2.gz AEYUUWAJLZJHFV-UHFFFAOYSA-N 0 0 378.429 4.568 50 5 GJBARN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C2CC2)cc1 ZINC000024831078 570310800 /nfs/dbraw/zinc/31/08/00/570310800.db2.gz SIKUUXYEBWYBKG-CYBMUJFWSA-N 0 0 388.851 4.698 50 5 GJBARN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1c1ccsc1 ZINC000050315423 570333336 /nfs/dbraw/zinc/33/33/36/570333336.db2.gz FYFOHIDEIANYPU-MRXNPFEDSA-N 0 0 385.470 4.757 50 5 GJBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004906287 570359472 /nfs/dbraw/zinc/35/94/72/570359472.db2.gz VKUYYBVHGDJQDM-IRLDBZIGSA-N 0 0 389.386 4.976 50 5 GJBARN Cc1ccc(NC(=O)[C@H](OC(=O)c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006282291 570360946 /nfs/dbraw/zinc/36/09/46/570360946.db2.gz SEVFOPXZZCJOBG-GOSISDBHSA-N 0 0 396.424 4.502 50 5 GJBARN CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000006304959 570367634 /nfs/dbraw/zinc/36/76/34/570367634.db2.gz GLNIEMYHZQQMEH-UHFFFAOYSA-N 0 0 396.871 4.582 50 5 GJBARN C[C@H](C(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=O ZINC000006373500 570402173 /nfs/dbraw/zinc/40/21/73/570402173.db2.gz NWQCIYNXFLQWPC-QMMMGPOBSA-N 0 0 392.198 4.537 50 5 GJBARN CCn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(OC)cc1 ZINC000005065756 570409339 /nfs/dbraw/zinc/40/93/39/570409339.db2.gz XUSDZIYWVABUDO-UHFFFAOYSA-N 0 0 390.852 4.686 50 5 GJBARN O=C1c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)c2[C@@H](c2ccccc2)N1c1ccccc1 ZINC000005090927 570414750 /nfs/dbraw/zinc/41/47/50/570414750.db2.gz IZAIDELMEMUXIA-JOCHJYFZSA-N 0 0 396.406 4.735 50 5 GJBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2ccc(F)cc2)cc1 ZINC000006537259 570470219 /nfs/dbraw/zinc/47/02/19/570470219.db2.gz BXZJNHLHZQYFHJ-UHFFFAOYSA-N 0 0 381.359 4.671 50 5 GJBARN O=C(COc1ccccc1Cl)Nc1ccc2c(c1)oc1ccccc1c2=O ZINC000006660338 570521733 /nfs/dbraw/zinc/52/17/33/570521733.db2.gz LJHVPOGODBTCSP-UHFFFAOYSA-N 0 0 379.799 4.617 50 5 GJBARN O=C(COc1cccc(Cl)c1)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000005802179 570542925 /nfs/dbraw/zinc/54/29/25/570542925.db2.gz LPHNKCNWHUCJJR-UHFFFAOYSA-N 0 0 394.810 4.722 50 5 GJBARN Cc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247659 570581546 /nfs/dbraw/zinc/58/15/46/570581546.db2.gz QEEAZPDLORJRCT-QGZVFWFLSA-N 0 0 396.468 4.860 50 5 GJBARN Cc1cccc([C@H](C)N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247713 570581644 /nfs/dbraw/zinc/58/16/44/570581644.db2.gz GAVFKUHDCUCNKZ-KRWDZBQOSA-N 0 0 396.468 4.860 50 5 GJBARN CC(=O)Oc1cn(C2CCCCCC2)c2nc(C)n3c4ccccc4nc3c12 ZINC000005453624 570598271 /nfs/dbraw/zinc/59/82/71/570598271.db2.gz IXRJKFULNPMLJA-UHFFFAOYSA-N 0 0 376.460 4.966 50 5 GJBARN Cc1c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cccc1[N+](=O)[O-] ZINC000006968670 570722411 /nfs/dbraw/zinc/72/24/11/570722411.db2.gz OSOOIUSAQNAVET-UHFFFAOYSA-N 0 0 375.356 4.557 50 5 GJBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000004423123 570753626 /nfs/dbraw/zinc/75/36/26/570753626.db2.gz WKZSOFYMKRLXSZ-INIZCTEOSA-N 0 0 376.412 4.976 50 5 GJBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCS[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000004422525 570756626 /nfs/dbraw/zinc/75/66/26/570756626.db2.gz KCGPAIMZEWDGHI-MRXNPFEDSA-N 0 0 382.363 4.501 50 5 GJBARN O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Cl)cc3Cl)=Nc3ncnn32)c1 ZINC000101078928 570792951 /nfs/dbraw/zinc/79/29/51/570792951.db2.gz IYTKAZQZJXDTKQ-MRXNPFEDSA-N 0 0 388.214 4.549 50 5 GJBARN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(Cl)c1 ZINC000032787352 570809868 /nfs/dbraw/zinc/80/98/68/570809868.db2.gz GMBMHBVRBQPWON-SECBINFHSA-N 0 0 378.215 4.874 50 5 GJBARN O=C(O[C@H]1CCCCC1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000007433119 570843860 /nfs/dbraw/zinc/84/38/60/570843860.db2.gz PPLKZUYKWRISFF-SFHVURJKSA-N 0 0 389.791 4.709 50 5 GJBARN C[C@H](c1cccs1)N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000032841988 570850683 /nfs/dbraw/zinc/85/06/83/570850683.db2.gz CLJGYFVCAVROGB-OAHLLOKOSA-N 0 0 387.505 4.726 50 5 GJBARN COc1ccc([C@@H]2CCCCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000170607376 570864240 /nfs/dbraw/zinc/86/42/40/570864240.db2.gz BHKQGAZCPBLEKB-NRFANRHFSA-N 0 0 393.443 4.842 50 5 GJBARN C[C@@H](c1cccs1)N(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000024538463 570888960 /nfs/dbraw/zinc/88/89/60/570888960.db2.gz WIIDXBCSSUKCJO-GJZGRUSLSA-N 0 0 387.505 4.726 50 5 GJBARN O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(Cl)cc1Cl ZINC000004590061 570925061 /nfs/dbraw/zinc/92/50/61/570925061.db2.gz PHOAETUJCNEVHX-IEHSFPGOSA-N 0 0 389.194 4.911 50 5 GJBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(C(F)(F)F)c1 ZINC000004071756 570929382 /nfs/dbraw/zinc/92/93/82/570929382.db2.gz OONQVCKJNVUNNN-UHFFFAOYSA-N 0 0 393.346 4.989 50 5 GJBARN CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004740801 570954700 /nfs/dbraw/zinc/95/47/00/570954700.db2.gz XHNOOMUAQNCYTL-UHFFFAOYSA-N 0 0 397.456 4.917 50 5 GJBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc(COc5ccccc5)nc34)c21 ZINC000033326988 570980835 /nfs/dbraw/zinc/98/08/35/570980835.db2.gz ADQAHXMLYZYAFP-UHFFFAOYSA-N 0 0 397.410 4.712 50 5 GJBARN COc1cccc(-c2csc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)n2)c1 ZINC000002209381 571006214 /nfs/dbraw/zinc/00/62/14/571006214.db2.gz SCIBZSBKOKGSQZ-UHFFFAOYSA-N 0 0 380.381 4.500 50 5 GJBARN C[C@@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000084656311 571029828 /nfs/dbraw/zinc/02/98/28/571029828.db2.gz GHBZEVOTFGWURQ-DYVFJYSZSA-N 0 0 396.472 4.812 50 5 GJBARN C[C@H](NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000084656305 571029900 /nfs/dbraw/zinc/02/99/00/571029900.db2.gz GHBZEVOTFGWURQ-SUMWQHHRSA-N 0 0 396.472 4.812 50 5 GJBARN CCOc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccc(C)cc1 ZINC000001073100 212213594 /nfs/dbraw/zinc/21/35/94/212213594.db2.gz NZJYIGYDVBGTDR-CMDGGOBGSA-N 0 0 392.249 4.983 50 5 GJBARN CCOC(=O)c1cc2nc3ccccc3c-2n(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000000977915 212200692 /nfs/dbraw/zinc/20/06/92/212200692.db2.gz IWNDGEOHPDTOLJ-UHFFFAOYSA-N 0 0 375.384 4.524 50 5 GJBARN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1ccccc1 ZINC000000950506 212198308 /nfs/dbraw/zinc/19/83/08/212198308.db2.gz JERXRGUWEHPFOI-UHFFFAOYSA-N 0 0 396.424 4.752 50 5 GJBARN COc1ccc(-c2n[nH]cc2C=Cc2nc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000096931585 212156681 /nfs/dbraw/zinc/15/66/81/212156681.db2.gz FKLAOOVCIUJSAH-WTKPLQERSA-N 0 0 378.413 4.774 50 5 GJBARN Cc1c(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000004819903 209121174 /nfs/dbraw/zinc/12/11/74/209121174.db2.gz TYYMGHWPPTXIKQ-UHFFFAOYSA-N 0 0 375.380 4.610 50 5 GJBARN CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccc(C(C)(C)C)cc12 ZINC000004542464 206227296 /nfs/dbraw/zinc/22/72/96/206227296.db2.gz APLONGBDYGBERU-UHFFFAOYSA-N 0 0 394.427 4.553 50 5 GJBARN O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000826984 206325071 /nfs/dbraw/zinc/32/50/71/206325071.db2.gz YZVNDBMGEFVYRG-UHFFFAOYSA-N 0 0 377.787 4.614 50 5 aggregator GJBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)oc2cc1C ZINC000000830440 206325619 /nfs/dbraw/zinc/32/56/19/206325619.db2.gz BUEORCJSAIZDRJ-UHFFFAOYSA-N 0 0 377.356 4.865 50 5 GJBARN CCOC(=O)c1c(C)sc(Sc2ccc(Cl)cc2[N+](=O)[O-])c1OC ZINC000000977898 206338951 /nfs/dbraw/zinc/33/89/51/206338951.db2.gz IESCCWOVPKJHAO-UHFFFAOYSA-N 0 0 387.866 4.955 50 5 GJBARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC000001000972 206341378 /nfs/dbraw/zinc/34/13/78/206341378.db2.gz FYLIWCFPJNZYGQ-OAHLLOKOSA-N 0 0 378.432 4.605 50 5 GJBARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000001138232 206358157 /nfs/dbraw/zinc/35/81/57/206358157.db2.gz SMTKHZXVRARLSN-UHFFFAOYSA-N 0 0 375.595 4.573 50 5 GJBARN Cc1cccc(C)c1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001036286 206344374 /nfs/dbraw/zinc/34/43/74/206344374.db2.gz PPIOXOSERKWQJZ-UHFFFAOYSA-N 0 0 384.379 4.961 50 5 GJBARN O=[N+]([O-])c1ccc(-c2cs/c(=N\Cc3cccnc3)n2-c2ccccc2)cc1 ZINC000001036677 206344466 /nfs/dbraw/zinc/34/44/66/206344466.db2.gz QTIXYONECYLFAO-LNVKXUELSA-N 0 0 388.452 4.610 50 5 GJBARN O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1cccc(Cl)c1 ZINC000001081660 206351282 /nfs/dbraw/zinc/35/12/82/206351282.db2.gz GQYSIWWNVUGHIU-UHFFFAOYSA-N 0 0 377.787 4.614 50 5 GJBARN O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccc(Br)cc1 ZINC000001510850 206384733 /nfs/dbraw/zinc/38/47/33/206384733.db2.gz LYTUSOAFLXURPF-UHFFFAOYSA-N 0 0 394.224 4.961 50 5 GJBARN CC(=O)c1cccc(NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000001138161 206358615 /nfs/dbraw/zinc/35/86/15/206358615.db2.gz UVNFBCWVEPPUIP-HYARGMPZSA-N 0 0 386.407 4.977 50 5 GJBARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1 ZINC000001149174 206360163 /nfs/dbraw/zinc/36/01/63/206360163.db2.gz MKXSNOXKNAIMOZ-UHFFFAOYSA-N 0 0 389.411 4.716 50 5 GJBARN Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl ZINC000001201121 206366848 /nfs/dbraw/zinc/36/68/48/206366848.db2.gz RWARKVIQXCPCKH-UHFFFAOYSA-N 0 0 393.877 4.897 50 5 GJBARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000003292379 206467602 /nfs/dbraw/zinc/46/76/02/206467602.db2.gz AQDDBZIAEXWRPW-GFCCVEGCSA-N 0 0 390.823 4.557 50 5 GJBARN CC(C)(C)c1ccc(NC(=O)c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000004591090 206532923 /nfs/dbraw/zinc/53/29/23/206532923.db2.gz YAGZXCZLOZPICC-UHFFFAOYSA-N 0 0 377.238 4.907 50 5 GJBARN O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004645048 206535264 /nfs/dbraw/zinc/53/52/64/206535264.db2.gz JPSCBXIKDBIIRM-UHFFFAOYSA-N 0 0 380.312 4.515 50 5 GJBARN Cc1ccc(-c2nn3c4cc(N5CCOCC5)ccc4nc3c3ccccc32)cc1 ZINC000004622449 206535436 /nfs/dbraw/zinc/53/54/36/206535436.db2.gz PLZLQRGTKNWZSU-UHFFFAOYSA-N 0 0 394.478 4.848 50 5 GJBARN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005012551 206583844 /nfs/dbraw/zinc/58/38/44/206583844.db2.gz XAYUISQGQQMRNI-UHFFFAOYSA-N 0 0 389.205 4.973 50 5 GJBARN Cc1ccc(-n2c(=O)c3c(nc2-c2ccc(F)cc2)oc2ccccc2c3=O)cc1 ZINC000005442830 206612745 /nfs/dbraw/zinc/61/27/45/206612745.db2.gz MZXVJSGKCCHYQR-UHFFFAOYSA-N 0 0 398.393 4.607 50 5 GJBARN Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 ZINC000012982329 206960572 /nfs/dbraw/zinc/96/05/72/206960572.db2.gz QLOVNNGODLYZKM-UHFFFAOYSA-N 0 0 387.848 4.610 50 5 GJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCCC1 ZINC000014065957 207009617 /nfs/dbraw/zinc/00/96/17/207009617.db2.gz PMYOONZIJMXFFY-UHFFFAOYSA-N 0 0 388.445 4.629 50 5 GJBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015835473 207063448 /nfs/dbraw/zinc/06/34/48/207063448.db2.gz CPPHHQDBWSERPQ-JOCHJYFZSA-N 0 0 385.423 4.938 50 5 GJBARN CCCNc1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3[nH]c(=O)c2s1 ZINC000020607474 207206070 /nfs/dbraw/zinc/20/60/70/207206070.db2.gz DOWSPYBCLVRXLV-UHFFFAOYSA-N 0 0 398.435 4.897 50 5 GJBARN CC(=O)N1CCc2cc(Nc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])ccc21 ZINC000022803372 207262004 /nfs/dbraw/zinc/26/20/04/207262004.db2.gz NFCIMWQKBGVJPZ-UHFFFAOYSA-N 0 0 399.756 4.920 50 5 GJBARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000024391439 207290174 /nfs/dbraw/zinc/29/01/74/207290174.db2.gz KXAFFSSZRBPYRN-UHFFFAOYSA-N 0 0 387.867 4.511 50 5 GJBARN COc1ccc(O)c(C2=Nc3ccccc3N=C(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000027546846 207327713 /nfs/dbraw/zinc/32/77/13/207327713.db2.gz NVRGSWYAUUWQIJ-UHFFFAOYSA-N 0 0 387.395 4.954 50 5 GJBARN Cc1cc(C2=N/C(=C\c3ccc(-c4ccccc4)cc3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000040160682 207360801 /nfs/dbraw/zinc/36/08/01/207360801.db2.gz SRVYGIAESQWLPJ-ZHZULCJRSA-N 0 0 384.391 4.915 50 5 GJBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O ZINC000002398059 220529699 /nfs/dbraw/zinc/52/96/99/220529699.db2.gz OTVDQBFYAOCFJV-OAHLLOKOSA-N 0 0 397.482 4.871 50 5 GJBARN Cc1ccc(-n2c(/C=C\c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 ZINC000033405928 208997466 /nfs/dbraw/zinc/99/74/66/208997466.db2.gz RRWKDHOZPAVOKQ-KAMYIIQDSA-N 0 0 383.407 4.773 50 5 GJBARN C[C@H]1CCCN(C(=O)c2ccc(SCc3cccc(F)c3)c([N+](=O)[O-])c2)C1 ZINC000003015234 220595904 /nfs/dbraw/zinc/59/59/04/220595904.db2.gz UETJCGKYYAKJMW-AWEZNQCLSA-N 0 0 388.464 4.898 50 5 GJBARN C[C@@H]1CCCN(C(=O)c2ccc(SCc3cccc(F)c3)c([N+](=O)[O-])c2)C1 ZINC000003015235 220596810 /nfs/dbraw/zinc/59/68/10/220596810.db2.gz UETJCGKYYAKJMW-CQSZACIVSA-N 0 0 388.464 4.898 50 5 GJBARN O=c1nc(C(F)(F)F)cc(C=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]1 ZINC000003833701 220666545 /nfs/dbraw/zinc/66/65/45/220666545.db2.gz KYBNCRZCEVXGRK-OWOJBTEDSA-N 0 0 380.109 4.586 50 5 GJBARN CCOc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004069964 220677109 /nfs/dbraw/zinc/67/71/09/220677109.db2.gz PIWMDMADBGVZLJ-UHFFFAOYSA-N 0 0 376.412 4.764 50 5 GJBARN COc1cccc(-c2csc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)n2)c1 ZINC000005514814 220878024 /nfs/dbraw/zinc/87/80/24/220878024.db2.gz OBMGCFLPYDPAHD-UHFFFAOYSA-N 0 0 380.381 4.500 50 5 GJBARN COc1ccc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)cc4oc32)cc1O ZINC000096116350 209009955 /nfs/dbraw/zinc/00/99/55/209009955.db2.gz HLSYFWNFDSVEGN-UHFFFAOYSA-N 0 0 389.411 4.998 50 5 biogenic GJBARN Cc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000006081112 220919498 /nfs/dbraw/zinc/91/94/98/220919498.db2.gz ZWWQXZDQJUPUFL-OAHLLOKOSA-N 0 0 396.472 4.517 50 5 GJBARN Cn1ncc2c1nc1c3ccc(O)cc3oc1c2-c1cccc(OC(F)F)c1 ZINC000252482604 209032927 /nfs/dbraw/zinc/03/29/27/209032927.db2.gz DKGLBOOITVMKHL-UHFFFAOYSA-N 0 0 381.338 4.842 50 5 GJBARN c1cc2c(cc1O[C@H]1CCCCO1)nnc1cc(O[C@H]3CCCCO3)ccc12 ZINC000252551333 209036536 /nfs/dbraw/zinc/03/65/36/209036536.db2.gz UCJCXWLJKXAHSH-VXKWHMMOSA-N 0 0 380.444 4.594 50 5 GJBARN O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccccc1[N+](=O)[O-] ZINC000006660245 220949052 /nfs/dbraw/zinc/94/90/52/220949052.db2.gz KVJJRMTZKVGFRW-UHFFFAOYSA-N 0 0 394.770 4.760 50 5 GJBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1C(F)(F)F ZINC000007988958 221021371 /nfs/dbraw/zinc/02/13/71/221021371.db2.gz TXWIEJKIZLQHBP-UHFFFAOYSA-N 0 0 393.346 4.989 50 5 GJBARN Cc1cc2sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000008428016 221041059 /nfs/dbraw/zinc/04/10/59/221041059.db2.gz JYYCYOBQRJPGTB-UHFFFAOYSA-N 0 0 396.472 4.674 50 5 GJBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2ccccc2-c2ccccc2)c1C ZINC000011618946 221118409 /nfs/dbraw/zinc/11/84/09/221118409.db2.gz ROYCDJRBDZQJDK-UHFFFAOYSA-N 0 0 375.428 4.929 50 5 GJBARN CCN(CC)c1nc(/C=C\c2ccc([N+](=O)[O-])cc2)nc2ccc(OC)cc21 ZINC000017299590 221382454 /nfs/dbraw/zinc/38/24/54/221382454.db2.gz FSDJAWHFNPQMEW-JYRVWZFOSA-N 0 0 378.432 4.563 50 5 GJBARN CCc1cc(N2CCCC[C@@H]2c2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089282891 136175575 /nfs/dbraw/zinc/17/55/75/136175575.db2.gz KWZNQVDDXVRLGF-QGZVFWFLSA-N 0 0 395.488 4.802 50 5 GJBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1c1cccs1 ZINC000022611492 221565117 /nfs/dbraw/zinc/56/51/17/221565117.db2.gz GKJLIMYRMDMPTH-FQEVSTJZSA-N 0 0 388.492 4.580 50 5 GJBARN Cc1cccc(Cc2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c1Cl ZINC000024831431 221618893 /nfs/dbraw/zinc/61/88/93/221618893.db2.gz TZZMANHXCLGDIG-UHFFFAOYSA-N 0 0 387.848 4.856 50 5 GJBARN CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c12 ZINC000040130864 221910377 /nfs/dbraw/zinc/91/03/77/221910377.db2.gz OKIZEMYVCRXOGZ-UHFFFAOYSA-N 0 0 380.404 4.522 50 5 GJBARN CC(C)N(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(Cl)c1 ZINC000059038105 222055699 /nfs/dbraw/zinc/05/56/99/222055699.db2.gz POFKRIHKFYGUSD-UHFFFAOYSA-N 0 0 386.839 4.709 50 5 GJBARN O=C1CC2(CCCCC2)Oc2cc(Oc3nc4sccn4c3[N+](=O)[O-])ccc21 ZINC000062580979 222065466 /nfs/dbraw/zinc/06/54/66/222065466.db2.gz YLZVKBPWYIDRJM-UHFFFAOYSA-N 0 0 399.428 4.764 50 5 GJBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095961607 222365835 /nfs/dbraw/zinc/36/58/35/222365835.db2.gz QQTVOWWHPVBJSR-GOSISDBHSA-N 0 0 392.377 4.910 50 5 GJBARN CC(C)CNC(=O)C[C@H](CCc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000096276759 222408053 /nfs/dbraw/zinc/40/80/53/222408053.db2.gz PXBWRTLLVYVFTE-SFHVURJKSA-N 0 0 393.487 4.955 50 5 GJBARN Cc1ccc(C)c(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])c1 ZINC000004817298 570235704 /nfs/dbraw/zinc/23/57/04/570235704.db2.gz ZCMMBWLOSKGGBH-UHFFFAOYSA-N 0 0 381.436 4.872 50 5 GJBARN Nc1cc(Cl)ccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000006084683 570239655 /nfs/dbraw/zinc/23/96/55/570239655.db2.gz FVDKZWKFVPJMAV-UHFFFAOYSA-N 0 0 379.799 4.539 50 5 GJBARN O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000000684438 570290435 /nfs/dbraw/zinc/29/04/35/570290435.db2.gz WOVOPMKCIDWQHD-FXAWDEMLSA-N 0 0 377.425 4.899 50 5 GJBARN Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004838910 570306947 /nfs/dbraw/zinc/30/69/47/570306947.db2.gz YXFXYGHJNKVQCR-UHFFFAOYSA-N 0 0 384.395 4.766 50 5 GJBARN Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000004993512 570390981 /nfs/dbraw/zinc/39/09/81/570390981.db2.gz CRORSUOGJBUVNM-UHFFFAOYSA-N 0 0 396.468 4.607 50 5 GJBARN Cc1ccc2nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c3cc2c1 ZINC000004994001 570391624 /nfs/dbraw/zinc/39/16/24/570391624.db2.gz PNRBFGKBMUIHLR-UHFFFAOYSA-N 0 0 378.413 4.501 50 5 GJBARN O=C(NCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000006346242 570394901 /nfs/dbraw/zinc/39/49/01/570394901.db2.gz OSRJIYZPXSNQBM-UHFFFAOYSA-N 0 0 395.846 4.790 50 5 GJBARN Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccccc3c2=O)c(C)c1 ZINC000005072436 570412989 /nfs/dbraw/zinc/41/29/89/570412989.db2.gz BFDJGZRYYPAZFT-DHZHZOJOSA-N 0 0 387.395 4.674 50 5 GJBARN CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000005125894 570421428 /nfs/dbraw/zinc/42/14/28/570421428.db2.gz ZVLVXVRUAOCSCZ-OVCLIPMQSA-N 0 0 376.199 4.708 50 5 GJBARN Cc1cccc(Oc2ncccc2NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1C ZINC000151180649 570424827 /nfs/dbraw/zinc/42/48/27/570424827.db2.gz VTTWSQKAQSZZCQ-UHFFFAOYSA-N 0 0 399.353 4.929 50 5 GJBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000043548327 570469983 /nfs/dbraw/zinc/46/99/83/570469983.db2.gz DLRZKCBAEXSFIH-CQSZACIVSA-N 0 0 397.431 4.861 50 5 GJBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(F)cc1Cl ZINC000006720331 570489793 /nfs/dbraw/zinc/48/97/93/570489793.db2.gz KMVLUAXBBBAMSI-UHFFFAOYSA-N 0 0 394.833 4.894 50 5 GJBARN COc1ccc(Nc2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000005173979 570492387 /nfs/dbraw/zinc/49/23/87/570492387.db2.gz HDJIGERHQYIQCX-UHFFFAOYSA-N 0 0 380.360 4.999 50 5 GJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc2c(ccc3ccccc32)oc1=O ZINC000005185246 570497734 /nfs/dbraw/zinc/49/77/34/570497734.db2.gz CXRZNXGJWXMQQK-DHZHZOJOSA-N 0 0 386.363 4.506 50 5 GJBARN CCCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 ZINC000005185948 570497764 /nfs/dbraw/zinc/49/77/64/570497764.db2.gz WROVIVQMACWEEV-UHFFFAOYSA-N 0 0 389.458 4.821 50 5 GJBARN Cc1ccc2[nH]c(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2c1 ZINC000006649715 570516509 /nfs/dbraw/zinc/51/65/09/570516509.db2.gz BYMDQNWNGPIYQU-NSHDSACASA-N 0 0 381.417 4.683 50 5 GJBARN Cn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccc(F)cc3)nc21 ZINC000005302017 570550129 /nfs/dbraw/zinc/55/01/29/570550129.db2.gz NVZRWIFOFJRMSF-UHFFFAOYSA-N 0 0 394.409 4.694 50 5 GJBARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc([N+](=O)[O-])c1 ZINC000005395197 570581001 /nfs/dbraw/zinc/58/10/01/570581001.db2.gz XRSUTFSAYAASOM-UHFFFAOYSA-N 0 0 391.408 4.829 50 5 GJBARN O=[N+]([O-])c1cccc([C@H]2c3cccn3CCCN2Cc2cc(F)ccc2F)c1 ZINC000036347317 570628813 /nfs/dbraw/zinc/62/88/13/570628813.db2.gz CTKADOISZHQUII-NRFANRHFSA-N 0 0 383.398 4.670 50 5 GJBARN Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000004955177 570646905 /nfs/dbraw/zinc/64/69/05/570646905.db2.gz DFBQWDQUEMNYSV-UHFFFAOYSA-N 0 0 378.340 4.698 50 5 GJBARN CC[C@@H](C)c1ccc(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cn3)o2)cc1 ZINC000005610883 570668654 /nfs/dbraw/zinc/66/86/54/570668654.db2.gz DOFYJKBSZQGAMJ-CQSZACIVSA-N 0 0 395.415 4.928 50 5 GJBARN O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000004355631 570694197 /nfs/dbraw/zinc/69/41/97/570694197.db2.gz UCTHZJTXKOLXGC-UHFFFAOYSA-N 0 0 385.832 4.680 50 5 GJBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccn3)n2-c2ccccc2)cc1 ZINC000004358641 570698620 /nfs/dbraw/zinc/69/86/20/570698620.db2.gz NFWDPZBOGUTGPF-UHFFFAOYSA-N 0 0 389.440 4.530 50 5 GJBARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000032660118 570726179 /nfs/dbraw/zinc/72/61/79/570726179.db2.gz OTUGBYRFHFCEOK-UHFFFAOYSA-N 0 0 385.420 4.650 50 5 GJBARN Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1C ZINC000000957924 570737071 /nfs/dbraw/zinc/73/70/71/570737071.db2.gz NAPOEUQNKZJDCS-UHFFFAOYSA-N 0 0 397.456 4.661 50 5 GJBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000025256627 570745058 /nfs/dbraw/zinc/74/50/58/570745058.db2.gz NJAVBYNCKIZTCV-UHFFFAOYSA-N 0 0 377.444 4.617 50 5 GJBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000001181554 570790960 /nfs/dbraw/zinc/79/09/60/570790960.db2.gz IIPHGJRWGDMKKV-OVCLIPMQSA-N 0 0 390.417 4.642 50 5 GJBARN CC1CCN(c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000005688508 570809945 /nfs/dbraw/zinc/80/99/45/570809945.db2.gz XIZYHCODSTXHLN-HXUWFJFHSA-N 0 0 393.487 4.639 50 5 GJBARN O=C(OCc1ncc(-c2ccccc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000007231206 570817877 /nfs/dbraw/zinc/81/78/77/570817877.db2.gz OTYLHWQOAMLFMK-UHFFFAOYSA-N 0 0 380.381 4.822 50 5 GJBARN Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3cccc(Br)c3)nc12 ZINC000004678199 570823661 /nfs/dbraw/zinc/82/36/61/570823661.db2.gz JVEBMGORKIRTKF-UHFFFAOYSA-N 0 0 397.232 4.678 50 5 GJBARN CCc1cccc(CC)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012516865 570826156 /nfs/dbraw/zinc/82/61/56/570826156.db2.gz DBVGUSFFSXYMND-UHFFFAOYSA-N 0 0 381.476 4.575 50 5 GJBARN Cc1cc(Cl)ccc1NC(=O)COc1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000012522143 570828742 /nfs/dbraw/zinc/82/87/42/570828742.db2.gz RWVVCGXNPFSWSD-UHFFFAOYSA-N 0 0 392.842 4.661 50 5 GJBARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012538494 570837554 /nfs/dbraw/zinc/83/75/54/570837554.db2.gz NOCXQDJKKXQBSR-UHFFFAOYSA-N 0 0 398.831 4.877 50 5 GJBARN Cc1cccc(COc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)c1 ZINC000016713220 570907865 /nfs/dbraw/zinc/90/78/65/570907865.db2.gz ORVZBBSZKCCQTQ-SXGWCWSVSA-N 0 0 386.454 4.811 50 5 GJBARN Cc1ccccc1NC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000004587608 570911041 /nfs/dbraw/zinc/91/10/41/570911041.db2.gz RYNTUUALZWVOAF-UHFFFAOYSA-N 0 0 392.371 4.807 50 5 GJBARN C[C@H](Sc1nnc(-c2nnc(-c3ccccc3)o2)o1)c1cccc([N+](=O)[O-])c1 ZINC000032922486 570933876 /nfs/dbraw/zinc/93/38/76/570933876.db2.gz XKXDVAASNSLYJU-NSHDSACASA-N 0 0 395.400 4.548 50 5 GJBARN Cc1ccccc1-n1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000004785200 570986161 /nfs/dbraw/zinc/98/61/61/570986161.db2.gz VFPZXYXMXJQXHC-BUHFOSPRSA-N 0 0 383.407 4.773 50 5 GJBARN O=C(Nc1ccc(Br)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004784065 570988061 /nfs/dbraw/zinc/98/80/61/570988061.db2.gz JULPNVKJDBWQRJ-UHFFFAOYSA-N 0 0 390.020 4.916 50 5 GJBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 ZINC000002206475 571004821 /nfs/dbraw/zinc/00/48/21/571004821.db2.gz KGDLOVHHRYYDMY-UHFFFAOYSA-N 0 0 381.395 4.852 50 5 GJBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(N2CCCCCC2)cc1 ZINC000065836199 571011248 /nfs/dbraw/zinc/01/12/48/571011248.db2.gz GPKMGWQGIPAPLS-UHFFFAOYSA-N 0 0 392.459 4.569 50 5 GJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1OC ZINC000001848208 212259344 /nfs/dbraw/zinc/25/93/44/212259344.db2.gz UCJNGYFZXHLVKL-ZZXKWVIFSA-N 0 0 397.214 4.571 50 5 GJBARN O=[N+]([O-])c1cccc(-c2nc3sc(-c4cccc([N+](=O)[O-])c4)nc3s2)c1 ZINC000001818652 212256936 /nfs/dbraw/zinc/25/69/36/212256936.db2.gz LNDJNDZFXXEGPS-UHFFFAOYSA-N 0 0 384.398 4.903 50 5 GJBARN O=C(Nc1ccccc1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000001209699 212229781 /nfs/dbraw/zinc/22/97/81/212229781.db2.gz UUTWFVIRFSFYKT-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN Cc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000001208965 212229376 /nfs/dbraw/zinc/22/93/76/212229376.db2.gz XOWRJLQIBBPUPW-UHFFFAOYSA-N 0 0 389.367 4.669 50 5 GJBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(Cl)cc1 ZINC000001170390 212224927 /nfs/dbraw/zinc/22/49/27/212224927.db2.gz XQOHBUKBCVFWEY-UHFFFAOYSA-N 0 0 394.770 4.841 50 5 GJBARN Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000001135920 212222284 /nfs/dbraw/zinc/22/22/84/212222284.db2.gz MPYXHWLRKGMPJB-UHFFFAOYSA-N 0 0 390.395 4.513 50 5 GJBARN CCOC(=O)[C@H](C)Oc1cccc2c1ccc1c(-c3ccccc3)cc(=O)oc21 ZINC000000634526 212167469 /nfs/dbraw/zinc/16/74/69/212167469.db2.gz RYGOROHIBADPDE-HNNXBMFYSA-N 0 0 388.419 4.944 50 5 GJBARN Cc1cc(Br)cc(C)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000004503107 212145896 /nfs/dbraw/zinc/14/58/96/212145896.db2.gz RLWOCBQPVGDVAT-VOTSOKGWSA-N 0 0 375.222 4.626 50 5 GJBARN O=[N+]([O-])c1ccc(-c2csc(-n3nc4c(c3C(F)(F)F)CCCC4)n2)cc1 ZINC000033435661 206256764 /nfs/dbraw/zinc/25/67/64/206256764.db2.gz FNGIGYHIWHJLBR-UHFFFAOYSA-N 0 0 394.378 4.802 50 5 GJBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)s1 ZINC000000670859 206314050 /nfs/dbraw/zinc/31/40/50/206314050.db2.gz MRNCMPNIQHLSNF-OXJNMPFZSA-N 0 0 377.425 4.899 50 5 GJBARN Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC000000668207 206314690 /nfs/dbraw/zinc/31/46/90/206314690.db2.gz JTAZENVWYLIGCP-UXBLZVDNSA-N 0 0 379.441 4.987 50 5 GJBARN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000000675468 206315574 /nfs/dbraw/zinc/31/55/74/206315574.db2.gz HQQXQUNUGUHXOR-UHFFFAOYSA-N 0 0 395.802 4.753 50 5 GJBARN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)nc2c1 ZINC000000830449 206325592 /nfs/dbraw/zinc/32/55/92/206325592.db2.gz CLECAFDXLAIHPO-UHFFFAOYSA-N 0 0 377.356 4.811 50 5 GJBARN CCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3ccccc3nc21 ZINC000001844578 206393199 /nfs/dbraw/zinc/39/31/99/206393199.db2.gz LGYSWBYKHKFFIU-UHFFFAOYSA-N 0 0 389.415 4.545 50 5 GJBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1cccc(Cl)c1Cl ZINC000001948784 206394530 /nfs/dbraw/zinc/39/45/30/206394530.db2.gz NIFYIMGPFVHGCR-WUXMJOGZSA-N 0 0 397.601 4.900 50 5 GJBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc2ccccc2c1 ZINC000002197944 206402076 /nfs/dbraw/zinc/40/20/76/206402076.db2.gz YHFDMCAYZYQTJH-ZDLGFXPLSA-N 0 0 378.771 4.746 50 5 GJBARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 ZINC000004545489 206527837 /nfs/dbraw/zinc/52/78/37/206527837.db2.gz VDLOEIHCOXIVQR-DYZYQPBXSA-N 0 0 387.461 4.609 50 5 GJBARN O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005200968 206598239 /nfs/dbraw/zinc/59/82/39/206598239.db2.gz CRSVYICSPAYWMD-UHFFFAOYSA-N 0 0 389.582 4.718 50 5 GJBARN O=C(COc1ccccc1Cl)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000005995765 206636564 /nfs/dbraw/zinc/63/65/64/206636564.db2.gz YOQUZIAOICODAT-UHFFFAOYSA-N 0 0 394.810 4.722 50 5 GJBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011075262 206820393 /nfs/dbraw/zinc/82/03/93/206820393.db2.gz GSRDLOOHCODBCR-UHFFFAOYSA-N 0 0 381.819 4.659 50 5 GJBARN Cc1c(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cccc1[N+](=O)[O-] ZINC000011260095 206822833 /nfs/dbraw/zinc/82/28/33/206822833.db2.gz LGKHZLOMULBXOW-UHFFFAOYSA-N 0 0 378.310 4.584 50 5 GJBARN COc1ccc(Cl)cc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000012062405 206852372 /nfs/dbraw/zinc/85/23/72/206852372.db2.gz MJEYANCETKAKJQ-UHFFFAOYSA-N 0 0 379.799 4.861 50 5 GJBARN CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F ZINC000014241392 207018591 /nfs/dbraw/zinc/01/85/91/207018591.db2.gz UFVUACRBFAMZMA-UHFFFAOYSA-N 0 0 391.420 4.657 50 5 GJBARN Cc1cc(C)cc(OCc2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)c1 ZINC000032117674 207392785 /nfs/dbraw/zinc/39/27/85/207392785.db2.gz SKXPWIPBOCNUEW-UHFFFAOYSA-N 0 0 389.484 4.700 50 5 GJBARN CC1(C)OCC(c2ccc3cc(OCc4ccccc4)ccc3c2)([N+](=O)[O-])CO1 ZINC000082048730 208077676 /nfs/dbraw/zinc/07/76/76/208077676.db2.gz VSJBREXGTRXFPS-UHFFFAOYSA-N 0 0 393.439 4.674 50 5 GJBARN COc1cc([N+](=O)[O-])cc2c1O[C@]13C(=C2)CCC[C@@]1(C)c1ccccc1N3C ZINC000004794393 208545991 /nfs/dbraw/zinc/54/59/91/208545991.db2.gz AMKZQFXNBZADOW-FCHUYYIVSA-N 0 0 378.428 4.667 50 5 GJBARN O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004914513 208547098 /nfs/dbraw/zinc/54/70/98/208547098.db2.gz ZLZCVTGTXHFXSR-UHFFFAOYSA-N 0 0 394.770 4.841 50 5 GJBARN Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1[N+](=O)[O-] ZINC000012908514 208777897 /nfs/dbraw/zinc/77/78/97/208777897.db2.gz HKYXERKJCLJPFL-UHFFFAOYSA-N 0 0 379.441 4.768 50 5 GJBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(Cl)cc1Cl ZINC000000829415 220461381 /nfs/dbraw/zinc/46/13/81/220461381.db2.gz RXEDVKYPGCQIFT-UHFFFAOYSA-N 0 0 395.227 4.672 50 5 GJBARN O=c1c2ccccc2sc2nc(C3CCCCC3)n(Cc3ccco3)c(=O)c12 ZINC000002326377 220522266 /nfs/dbraw/zinc/52/22/66/220522266.db2.gz RXWYDJGIPKMRIN-UHFFFAOYSA-N 0 0 392.480 4.660 50 5 aggregator GJBARN CCc1ccc([C@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000008062263 221024895 /nfs/dbraw/zinc/02/48/95/221024895.db2.gz IITSWSKDPJSRHV-NRFANRHFSA-N 0 0 396.468 4.503 50 5 GJBARN O=[N+]([O-])c1ncccc1OCc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000012777326 221230422 /nfs/dbraw/zinc/23/04/22/221230422.db2.gz ZLPPKFLDTSEGLF-UHFFFAOYSA-N 0 0 394.818 4.620 50 5 GJBARN Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000013002000 221255839 /nfs/dbraw/zinc/25/58/39/221255839.db2.gz ZILWKDOLDSXQCS-CYBMUJFWSA-N 0 0 375.808 4.602 50 5 GJBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1F ZINC000013898490 221293572 /nfs/dbraw/zinc/29/35/72/221293572.db2.gz FOWOANYXCPUXGM-NVNXTCNLSA-N 0 0 390.417 4.642 50 5 GJBARN Cc1cc(N2CC[C@H](C)C[C@@H]2c2ccco2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000089600673 136175732 /nfs/dbraw/zinc/17/57/32/136175732.db2.gz YXMCXUFXDRFOAV-KBXCAEBGSA-N 0 0 378.432 4.931 50 5 GJBARN COc1ccccc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C(C)C ZINC000079464270 222304804 /nfs/dbraw/zinc/30/48/04/222304804.db2.gz QMEYFRNDGUMYOW-UHFFFAOYSA-N 0 0 389.411 4.998 50 5 GJBARN O=C(c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000096011207 222370650 /nfs/dbraw/zinc/37/06/50/222370650.db2.gz CLFQQAHVCGJPGA-GOSISDBHSA-N 0 0 396.834 4.616 50 5 GJBARN CC(=O)Nc1cc(N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c(F)cc1[N+](=O)[O-] ZINC000040135279 534698621 /nfs/dbraw/zinc/69/86/21/534698621.db2.gz BXDGAUDTRMRBOJ-OAHLLOKOSA-N 0 0 396.422 4.558 50 5 GJBARN Cc1ccc(N2C(=O)c3ccccc3/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000048279713 570230718 /nfs/dbraw/zinc/23/07/18/570230718.db2.gz VKUVEPVWDDUJKV-XSFVSMFZSA-N 0 0 384.391 4.631 50 5 GJBARN Cc1ccc(Nc2cc(N3CCC[C@@H](C)C3)c3nonc3c2[N+](=O)[O-])c(C)c1 ZINC000004817257 570235757 /nfs/dbraw/zinc/23/57/57/570235757.db2.gz TZLOPUIMLCJIIR-CYBMUJFWSA-N 0 0 381.436 4.728 50 5 GJBARN O=C(NC1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000012900974 570288343 /nfs/dbraw/zinc/28/83/43/570288343.db2.gz CJSAGDMODIRCRO-UHFFFAOYSA-N 0 0 382.363 4.657 50 5 GJBARN Cc1cc(S(=O)(=O)Nc2cccc3c2cccc3[N+](=O)[O-])ccc1Cl ZINC000004980362 570386159 /nfs/dbraw/zinc/38/61/59/570386159.db2.gz IUANHOKKFAAHFL-UHFFFAOYSA-N 0 0 376.821 4.511 50 5 GJBARN CCOc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000005041596 570404563 /nfs/dbraw/zinc/40/45/63/570404563.db2.gz PHWPQAUSCCSNJT-UHFFFAOYSA-N 0 0 385.203 4.561 50 5 GJBARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000005052488 570406525 /nfs/dbraw/zinc/40/65/25/570406525.db2.gz FGBXXKFDHMRRCK-BOPFTXTBSA-N 0 0 394.770 4.853 50 5 GJBARN Cc1csc2nc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)cn12 ZINC000005083637 570413612 /nfs/dbraw/zinc/41/36/12/570413612.db2.gz AEEAMLWDDJIUIH-UHFFFAOYSA-N 0 0 378.413 4.532 50 5 GJBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000005091091 570415102 /nfs/dbraw/zinc/41/51/02/570415102.db2.gz VBRLVOHIGOAWAO-IRLDBZIGSA-N 0 0 389.386 4.976 50 5 GJBARN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000054125111 570448961 /nfs/dbraw/zinc/44/89/61/570448961.db2.gz HRXPQSRVIINYLU-ZDUSSCGKSA-N 0 0 380.379 4.554 50 5 GJBARN O=c1cc(CSc2nnc3[nH]c4ccccc4n32)c2c(ccc3ccccc32)o1 ZINC000006506855 570460060 /nfs/dbraw/zinc/46/00/60/570460060.db2.gz OVXGOTZBEIHFHU-UHFFFAOYSA-N 0 0 398.447 4.763 50 5 GJBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1NCCOC(=O)C(C)(C)C ZINC000005958538 570462921 /nfs/dbraw/zinc/46/29/21/570462921.db2.gz VXOIRMFNHQLHQO-UHFFFAOYSA-N 0 0 394.471 4.566 50 5 GJBARN COc1cccc(CN2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)c1 ZINC000054278241 570470916 /nfs/dbraw/zinc/47/09/16/570470916.db2.gz MFDJDZOQLBOMJS-UHFFFAOYSA-N 0 0 387.435 4.615 50 5 GJBARN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000006602612 570491964 /nfs/dbraw/zinc/49/19/64/570491964.db2.gz LKNVVALXUMSHTN-KKSFZXQISA-N 0 0 375.468 4.845 50 5 GJBARN O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1ccc(Br)cc1 ZINC000006660780 570524272 /nfs/dbraw/zinc/52/42/72/570524272.db2.gz SRBGUEUQEMDUHB-UHFFFAOYSA-N 0 0 394.224 4.961 50 5 GJBARN Cn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccccc3F)nc21 ZINC000005246297 570526811 /nfs/dbraw/zinc/52/68/11/570526811.db2.gz BIURPVLLNXYTDI-UHFFFAOYSA-N 0 0 394.409 4.694 50 5 GJBARN Cc1ccc2cccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2n1 ZINC000006672014 570529080 /nfs/dbraw/zinc/52/90/80/570529080.db2.gz SSVSLXMLSYVDDG-UHFFFAOYSA-N 0 0 390.443 4.694 50 5 GJBARN O=[N+]([O-])c1ccc(NN2[C@@H]3CC[C@H]2c2c(ccc4ccccc42)O3)c([N+](=O)[O-])c1 ZINC000005280479 570546753 /nfs/dbraw/zinc/54/67/53/570546753.db2.gz UFSNMHRUVAYRIG-LPHOPBHVSA-N 0 0 392.371 4.539 50 5 GJBARN Cc1ccc(OCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])n1 ZINC000006832212 570636160 /nfs/dbraw/zinc/63/61/60/570636160.db2.gz FZWQSPBUFMINOW-UHFFFAOYSA-N 0 0 386.411 4.730 50 5 GJBARN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccccc1Cl ZINC000004387757 570732089 /nfs/dbraw/zinc/73/20/89/570732089.db2.gz BHHBWZDCSSNPSI-UHFFFAOYSA-N 0 0 380.787 4.732 50 5 GJBARN Cc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 ZINC000004419900 570745651 /nfs/dbraw/zinc/74/56/51/570745651.db2.gz RRWKDHOZPAVOKQ-SDNWHVSQSA-N 0 0 383.407 4.773 50 5 GJBARN O=C(c1ccccc1)c1ccc(N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000015169493 570786559 /nfs/dbraw/zinc/78/65/59/570786559.db2.gz VCFWPTWJKHKNAL-HNNXBMFYSA-N 0 0 378.350 4.605 50 5 GJBARN CCn1ccc2cc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc21 ZINC000065309895 570789862 /nfs/dbraw/zinc/78/98/62/570789862.db2.gz CBXZPKZEOHTLNG-UHFFFAOYSA-N 0 0 392.440 4.945 50 5 GJBARN Cn1c(-c2cccc(Br)c2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000004678269 570824210 /nfs/dbraw/zinc/82/42/10/570824210.db2.gz CHQORGFXFNTTRR-UHFFFAOYSA-N 0 0 397.232 4.678 50 5 GJBARN Cc1ccccc1-n1ncc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C1CC1 ZINC000032809325 570831964 /nfs/dbraw/zinc/83/19/64/570831964.db2.gz FKKYGZRQMZLSKD-UHFFFAOYSA-N 0 0 376.416 4.527 50 5 GJBARN O=[N+]([O-])c1ccc(Cn2c3ccc([N+](=O)[O-])cc3c3cc([N+](=O)[O-])ccc32)cc1 ZINC000102580014 570852789 /nfs/dbraw/zinc/85/27/89/570852789.db2.gz RMBVQRZMXFZNQO-UHFFFAOYSA-N 0 0 392.327 4.567 50 5 GJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000004724320 570862867 /nfs/dbraw/zinc/86/28/67/570862867.db2.gz YOEJUSKPFQESLL-UHFFFAOYSA-N 0 0 384.395 4.700 50 5 GJBARN Cc1ccccc1/C=C\c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000004725202 570863088 /nfs/dbraw/zinc/86/30/88/570863088.db2.gz CGIOTFYGCQOTTI-PFONDFGASA-N 0 0 383.407 4.773 50 5 GJBARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004558260 570882075 /nfs/dbraw/zinc/88/20/75/570882075.db2.gz PYNOPYZSVFLNGI-UHFFFAOYSA-N 0 0 396.424 4.752 50 5 GJBARN Cc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000032904191 570901907 /nfs/dbraw/zinc/90/19/07/570901907.db2.gz NWHXVIJWMFEOCY-UHFFFAOYSA-N 0 0 390.399 4.800 50 5 GJBARN Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)c2ccccc2)c1 ZINC000004078852 570931031 /nfs/dbraw/zinc/93/10/31/570931031.db2.gz JEDIMTDUYZJUIX-GXDHUFHOSA-N 0 0 386.407 4.786 50 5 GJBARN Cc1c(C(=O)NCc2cccc(COCc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000032925144 570935732 /nfs/dbraw/zinc/93/57/32/570935732.db2.gz XAXUVSWHHJRFHH-UHFFFAOYSA-N 0 0 390.439 4.550 50 5 GJBARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004776868 570975881 /nfs/dbraw/zinc/97/58/81/570975881.db2.gz MGRCRXOSKHSCBC-UHFFFAOYSA-N 0 0 389.367 4.664 50 5 GJBARN CCCCN(C(=O)OCCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004800267 570992338 /nfs/dbraw/zinc/99/23/38/570992338.db2.gz DFDRPBYQLCRULP-UHFFFAOYSA-N 0 0 393.318 4.675 50 5 GJBARN