smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc[nH+]c2C)C1(C)C ZINC001314243247 1069951373 /nfs/dbraw/zinc/95/13/73/1069951373.db2.gz KUOHWVVZERDXPU-PMACEKPBSA-N 1 1 453.547 3.698 20 5 JHBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@@H]12 ZINC001307576692 1070061224 /nfs/dbraw/zinc/06/12/24/1070061224.db2.gz OCANYOZOGURLTQ-YBTBMNATSA-N 1 1 456.587 3.668 20 5 JHBDMO Cc1cccc(-c2noc(CC3CC[NH+]([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)n1 ZINC001308078326 1070305646 /nfs/dbraw/zinc/30/56/46/1070305646.db2.gz TZBSBLNWBMNUEX-INIZCTEOSA-N 1 1 450.499 3.630 20 5 JHBDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnc(C)s2)C[C@H]1CC ZINC001314497816 1070421299 /nfs/dbraw/zinc/42/12/99/1070421299.db2.gz VULCFQUNZBVNPD-LJQANCHMSA-N 1 1 485.614 3.604 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362319 1070723949 /nfs/dbraw/zinc/72/39/49/1070723949.db2.gz DMDMTBNYNKICPI-YWZLYKJASA-N 1 1 455.939 3.975 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362319 1070723960 /nfs/dbraw/zinc/72/39/60/1070723960.db2.gz DMDMTBNYNKICPI-YWZLYKJASA-N 1 1 455.939 3.975 20 5 JHBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001310159605 1071164929 /nfs/dbraw/zinc/16/49/29/1071164929.db2.gz ISCVCNRPLYNOKH-QGZVFWFLSA-N 1 1 450.442 3.609 20 5 JHBDMO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccncc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314835055 1071176028 /nfs/dbraw/zinc/17/60/28/1071176028.db2.gz YVUMPRJASMJGIO-HSZRJFAPSA-N 1 1 477.613 3.971 20 5 JHBDMO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001306264743 1068678935 /nfs/dbraw/zinc/67/89/35/1068678935.db2.gz QESYDBDQGRQFPF-XQBPLPMBSA-N 1 1 456.591 3.979 20 5 JHBDMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001306325399 1068762672 /nfs/dbraw/zinc/76/26/72/1068762672.db2.gz XTXJFGWEHAADJA-RTWAWAEBSA-N 1 1 456.591 3.634 20 5 JHBDMO COc1cc2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2cc1[N+](=O)[O-] ZINC001164694365 719808992 /nfs/dbraw/zinc/80/89/92/719808992.db2.gz WDZIWRLGNZUCGQ-UHFFFAOYSA-N 1 1 454.556 3.947 20 5 JHBDMO CCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164816800 720181381 /nfs/dbraw/zinc/18/13/81/720181381.db2.gz MUBWIJNBGGGPIQ-CPJSRVTESA-N 1 1 451.571 3.799 20 5 JHBDMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838763 720617587 /nfs/dbraw/zinc/61/75/87/720617587.db2.gz LPWNYGDVPGJBEL-ACIOBRDBSA-N 1 1 461.570 3.935 20 5 JHBDMO CCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164744786 720851445 /nfs/dbraw/zinc/85/14/45/720851445.db2.gz CJTPPXSIQIAQQY-TUACAJSNSA-N 1 1 488.596 3.585 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)ccc1Cl ZINC001164744812 720854985 /nfs/dbraw/zinc/85/49/85/720854985.db2.gz CKFOMFUWJUZZHL-WOIUINJBSA-N 1 1 494.987 3.676 20 5 JHBDMO O=[N+]([O-])c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752698 720898564 /nfs/dbraw/zinc/89/85/64/720898564.db2.gz FQIZDYFHJWZACF-NBGIEHNGSA-N 1 1 462.554 3.621 20 5 JHBDMO CN(C)/C=C/c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754198 720908490 /nfs/dbraw/zinc/90/84/90/720908490.db2.gz UGVNHEUEPBWULX-VHGMLXROSA-N 1 1 492.624 3.672 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776418 721342974 /nfs/dbraw/zinc/34/29/74/721342974.db2.gz BECDSSSJDOETSZ-QHCPKHFHSA-N 1 1 486.960 3.915 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C2)C1 ZINC001164786139 721376647 /nfs/dbraw/zinc/37/66/47/721376647.db2.gz SVTUEBSFDUXLHY-HSZRJFAPSA-N 1 1 486.960 3.915 20 5 JHBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884527 721419037 /nfs/dbraw/zinc/41/90/37/721419037.db2.gz DPFVKNZZTFUCQL-UZUQRXQVSA-N 1 1 459.978 3.562 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)ccc1F ZINC001164903503 721561612 /nfs/dbraw/zinc/56/16/12/721561612.db2.gz BOWYPXFRWCDTBJ-MJGOQNOKSA-N 1 1 453.449 3.672 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)ccc1F ZINC001164903504 721561638 /nfs/dbraw/zinc/56/16/38/721561638.db2.gz BOWYPXFRWCDTBJ-PKOBYXMFSA-N 1 1 453.449 3.672 20 5 JHBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938930 721923358 /nfs/dbraw/zinc/92/33/58/721923358.db2.gz CDWXGXYCDWOABS-UHFFFAOYSA-N 1 1 452.342 3.871 20 5 JHBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982680 722111394 /nfs/dbraw/zinc/11/13/94/722111394.db2.gz XRYXEVLVHPMPLT-FXAWDEMLSA-N 1 1 453.930 3.919 20 5 JHBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001306682043 1069412611 /nfs/dbraw/zinc/41/26/11/1069412611.db2.gz AMUJPGASPSZDON-YJBOKZPZSA-N 1 1 470.496 3.741 20 5 JHBDMO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994012 1069695673 /nfs/dbraw/zinc/69/56/73/1069695673.db2.gz NYUBAYQJTAYCSK-WIYYLYMNSA-N 1 1 458.584 3.933 20 5 JHBDMO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc[nH+]c2C)C1(C)C ZINC001314243249 1069951346 /nfs/dbraw/zinc/95/13/46/1069951346.db2.gz KUOHWVVZERDXPU-VQTJNVASSA-N 1 1 453.547 3.698 20 5 JHBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@H]12 ZINC001307576690 1070061648 /nfs/dbraw/zinc/06/16/48/1070061648.db2.gz OCANYOZOGURLTQ-JMUGLRNTSA-N 1 1 456.587 3.668 20 5 JHBDMO Cc1c[nH+]ccc1OC1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC001307724269 1070148713 /nfs/dbraw/zinc/14/87/13/1070148713.db2.gz OZZBKUPLPKXAQW-UHFFFAOYSA-N 1 1 453.524 3.904 20 5 JHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001307759692 1070171122 /nfs/dbraw/zinc/17/11/22/1070171122.db2.gz NXKSRXRFRHOOQA-OAQYLSRUSA-N 1 1 452.555 3.835 20 5 JHBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001307760123 1070171841 /nfs/dbraw/zinc/17/18/41/1070171841.db2.gz DCARTNQJEFTRIM-OAQYLSRUSA-N 1 1 459.388 3.749 20 5 JHBDMO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001307968661 1070263132 /nfs/dbraw/zinc/26/31/32/1070263132.db2.gz XZYVTJMNYHBOIV-GOSISDBHSA-N 1 1 454.502 3.744 20 5 JHBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313447209 1070366159 /nfs/dbraw/zinc/36/61/59/1070366159.db2.gz IODKNAUIYHBKBL-XLIONFOSSA-N 1 1 495.550 3.801 20 5 JHBDMO C[C@H]1C[C@@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@H+]1Cc1ccccc1 ZINC001309322347 1070697464 /nfs/dbraw/zinc/69/74/64/1070697464.db2.gz NCTMWRAJEZTRSX-GOEBONIOSA-N 1 1 455.939 3.966 20 5 JHBDMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001309364524 1070725909 /nfs/dbraw/zinc/72/59/09/1070725909.db2.gz ZPELLKGNSKLUTI-OXJNMPFZSA-N 1 1 455.939 3.542 20 5 JHBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001309364524 1070725922 /nfs/dbraw/zinc/72/59/22/1070725922.db2.gz ZPELLKGNSKLUTI-OXJNMPFZSA-N 1 1 455.939 3.542 20 5 JHBDMO CN(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC001314648620 1070752414 /nfs/dbraw/zinc/75/24/14/1070752414.db2.gz LOXHVWBMUVRMEJ-FQEVSTJZSA-N 1 1 467.574 3.670 20 5 JHBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC001309426892 1070763401 /nfs/dbraw/zinc/76/34/01/1070763401.db2.gz GCBILDJZOFIZDT-SFHVURJKSA-N 1 1 457.474 3.803 20 5 JHBDMO CN(C)c1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cn1 ZINC001314660461 1070784539 /nfs/dbraw/zinc/78/45/39/1070784539.db2.gz JMTKZTCFFTUPID-UHFFFAOYSA-N 1 1 478.601 3.673 20 5 JHBDMO CN(CC1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314815354 1071120974 /nfs/dbraw/zinc/12/09/74/1071120974.db2.gz KLQFIHXGWUKCHS-OAQYLSRUSA-N 1 1 456.591 3.837 20 5 JHBDMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313892325 1071487039 /nfs/dbraw/zinc/48/70/39/1071487039.db2.gz XWCXKMCVZUAQFV-QUCCMNQESA-N 1 1 499.616 3.689 20 5 JHBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313949481 1071636381 /nfs/dbraw/zinc/63/63/81/1071636381.db2.gz IVVRVSOPFUAFLM-ICSRJNTNSA-N 1 1 491.587 3.608 20 5 JHBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313951560 1071642389 /nfs/dbraw/zinc/64/23/89/1071642389.db2.gz UWTBHLMRAUGOCK-IBGZPJMESA-N 1 1 467.618 3.673 20 5 JHBDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313951562 1071642443 /nfs/dbraw/zinc/64/24/43/1071642443.db2.gz UWTBHLMRAUGOCK-LJQANCHMSA-N 1 1 467.618 3.673 20 5 JHBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC[N@H+](C2CCC2)C1 ZINC001310711811 1069127344 /nfs/dbraw/zinc/12/73/44/1069127344.db2.gz SMTOPCSRMWEGQM-GFCCVEGCSA-N 1 1 458.300 3.538 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001164834008 720510430 /nfs/dbraw/zinc/51/04/30/720510430.db2.gz FCTFGNOSZXUAFG-PVAVHDDUSA-N 1 1 454.909 3.762 20 5 JHBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752179 720804876 /nfs/dbraw/zinc/80/48/76/720804876.db2.gz ZANKVTRRROOPPQ-FGZHOGPDSA-N 1 1 498.543 3.854 20 5 JHBDMO CCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164744783 720851843 /nfs/dbraw/zinc/85/18/43/720851843.db2.gz CJTPPXSIQIAQQY-NKKJXINNSA-N 1 1 488.596 3.585 20 5 JHBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1-c1ccc(F)cc1 ZINC001164748700 720859313 /nfs/dbraw/zinc/85/93/13/720859313.db2.gz LVWNJCAVQBEFIL-BAGYTPMASA-N 1 1 477.544 3.767 20 5 JHBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746014 720859345 /nfs/dbraw/zinc/85/93/45/720859345.db2.gz FEGCQFMHSGEXQS-WSTZPKSXSA-N 1 1 467.961 3.767 20 5 JHBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753479 720871582 /nfs/dbraw/zinc/87/15/82/720871582.db2.gz PNUPDJXBYOZQAP-CVDCTZTESA-N 1 1 457.962 3.793 20 5 JHBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164752990 720875934 /nfs/dbraw/zinc/87/59/34/720875934.db2.gz OCSIHNAZPRJCMM-HFZDXXHNSA-N 1 1 474.565 3.688 20 5 JHBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164861558 720890673 /nfs/dbraw/zinc/89/06/73/720890673.db2.gz PTQISFQOLWNYQZ-LVXARBLLSA-N 1 1 492.576 3.896 20 5 JHBDMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)CC2 ZINC001164873105 721327708 /nfs/dbraw/zinc/32/77/08/721327708.db2.gz ABKDTPNMMZXPRU-UHFFFAOYSA-N 1 1 466.876 3.885 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C2)C1 ZINC001164779086 721342527 /nfs/dbraw/zinc/34/25/27/721342527.db2.gz QLWYBERCNSEGHQ-HSZRJFAPSA-N 1 1 486.960 3.915 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C2)C1 ZINC001164779086 721342532 /nfs/dbraw/zinc/34/25/32/721342532.db2.gz QLWYBERCNSEGHQ-HSZRJFAPSA-N 1 1 486.960 3.915 20 5 JHBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884524 721418745 /nfs/dbraw/zinc/41/87/45/721418745.db2.gz DPFVKNZZTFUCQL-SBUREZEXSA-N 1 1 459.978 3.562 20 5 JHBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884520 721419045 /nfs/dbraw/zinc/41/90/45/721419045.db2.gz DPFVKNZZTFUCQL-GAJHUEQPSA-N 1 1 459.978 3.562 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164789467 721455281 /nfs/dbraw/zinc/45/52/81/721455281.db2.gz WNUWMRPWIULFNB-LJQANCHMSA-N 1 1 490.004 3.925 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164790569 721457428 /nfs/dbraw/zinc/45/74/28/721457428.db2.gz ZJXGBCFCAZTICO-JOCHJYFZSA-N 1 1 454.571 3.877 20 5 JHBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164973848 722125507 /nfs/dbraw/zinc/12/55/07/722125507.db2.gz HMLPEVIRMNHVRE-LAUBAEHRSA-N 1 1 453.930 3.919 20 5 JHBDMO CCCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001306683995 1069418819 /nfs/dbraw/zinc/41/88/19/1069418819.db2.gz DKQIULOLNCPSEO-UHFFFAOYSA-N 1 1 455.607 3.902 20 5 JHBDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001306728604 1069476120 /nfs/dbraw/zinc/47/61/20/1069476120.db2.gz URZYDQKVPQWUOR-QFIPXVFZSA-N 1 1 455.607 3.730 20 5 JHBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001311710245 1069513123 /nfs/dbraw/zinc/51/31/23/1069513123.db2.gz DKAOGFGOCNITJJ-UHFFFAOYSA-N 1 1 459.978 3.644 20 5 JHBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001306779008 1069574796 /nfs/dbraw/zinc/57/47/96/1069574796.db2.gz CVXLAQFZSNPYRC-UQBPGWFLSA-N 1 1 470.618 3.963 20 5 JHBDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cnc(C)s2)C1 ZINC001307033814 1069749109 /nfs/dbraw/zinc/74/91/09/1069749109.db2.gz MQQCZQLVKLHYLB-QGZVFWFLSA-N 1 1 455.588 3.987 20 5 JHBDMO CC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312218782 1069789755 /nfs/dbraw/zinc/78/97/55/1069789755.db2.gz PVWHCQGWDYRYSL-ISKFKSNPSA-N 1 1 452.555 3.948 20 5 JHBDMO CC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312218782 1069789763 /nfs/dbraw/zinc/78/97/63/1069789763.db2.gz PVWHCQGWDYRYSL-ISKFKSNPSA-N 1 1 452.555 3.948 20 5 JHBDMO O=C(CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307361097 1069961468 /nfs/dbraw/zinc/96/14/68/1069961468.db2.gz VOFWUZUPKJFEBR-QHCPKHFHSA-N 1 1 454.596 3.641 20 5 JHBDMO Cc1cccnc1NC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001307416323 1069974016 /nfs/dbraw/zinc/97/40/16/1069974016.db2.gz GRVGJJFHCHNDTE-UHFFFAOYSA-N 1 1 451.552 3.783 20 5 JHBDMO C[N@H+]1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H]1Cc1ccccc1 ZINC001307750637 1070165906 /nfs/dbraw/zinc/16/59/06/1070165906.db2.gz VLFQSLAXMNLWAH-HXUWFJFHSA-N 1 1 451.552 3.516 20 5 JHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001307844724 1070209799 /nfs/dbraw/zinc/20/97/99/1070209799.db2.gz SBHRDAOSKJEGKT-YZUZCNPQSA-N 1 1 458.518 3.784 20 5 JHBDMO Cc1cc(Cl)ccc1C1=CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001307981323 1070268734 /nfs/dbraw/zinc/26/87/34/1070268734.db2.gz XHJBSEALYBNOLA-UHFFFAOYSA-N 1 1 454.958 3.995 20 5 JHBDMO Cc1cc(Cl)ccc1C1=CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001307981323 1070268744 /nfs/dbraw/zinc/26/87/44/1070268744.db2.gz XHJBSEALYBNOLA-UHFFFAOYSA-N 1 1 454.958 3.995 20 5 JHBDMO CCOC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001314432111 1070316071 /nfs/dbraw/zinc/31/60/71/1070316071.db2.gz BRRQOKVGBMRYHJ-PMACEKPBSA-N 1 1 456.591 3.981 20 5 JHBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CCCO)CC1 ZINC001313448581 1070371450 /nfs/dbraw/zinc/37/14/50/1070371450.db2.gz RIFSXHGRDRJCJZ-QFIPXVFZSA-N 1 1 456.591 3.717 20 5 JHBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccsc1 ZINC001309053576 1070510337 /nfs/dbraw/zinc/51/03/37/1070510337.db2.gz QMNRALPCHAMBJP-INIZCTEOSA-N 1 1 456.546 3.543 20 5 JHBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309201441 1070602771 /nfs/dbraw/zinc/60/27/71/1070602771.db2.gz LAMFAACOPSOTHU-HNNXBMFYSA-N 1 1 457.474 3.899 20 5 JHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309201441 1070602777 /nfs/dbraw/zinc/60/27/77/1070602777.db2.gz LAMFAACOPSOTHU-HNNXBMFYSA-N 1 1 457.474 3.899 20 5 JHBDMO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001313750251 1071081571 /nfs/dbraw/zinc/08/15/71/1071081571.db2.gz CDKAJGMAAPZAEQ-OAQYLSRUSA-N 1 1 466.590 3.734 20 5 JHBDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313897143 1071500976 /nfs/dbraw/zinc/50/09/76/1071500976.db2.gz ULGVSKAUQLLAFP-JOCHJYFZSA-N 1 1 499.616 3.642 20 5 JHBDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313907653 1071528952 /nfs/dbraw/zinc/52/89/52/1071528952.db2.gz JKWWCOSLAZGZSF-OFNKIYASSA-N 1 1 497.644 3.716 20 5 JHBDMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313909389 1071532570 /nfs/dbraw/zinc/53/25/70/1071532570.db2.gz PEPWKBJIKMMZQA-JOCHJYFZSA-N 1 1 483.617 3.598 20 5 JHBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313934005 1071600611 /nfs/dbraw/zinc/60/06/11/1071600611.db2.gz RBKCTTZLAUWRAD-ZWKOTPCHSA-N 1 1 487.605 3.545 20 5 JHBDMO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001314014979 1071756296 /nfs/dbraw/zinc/75/62/96/1071756296.db2.gz ZBUWAHPMFBYHOE-JOCHJYFZSA-N 1 1 499.616 3.785 20 5 JHBDMO CC[C@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001306321870 1068752226 /nfs/dbraw/zinc/75/22/26/1068752226.db2.gz FBVMTKYJDKUZKQ-QFIPXVFZSA-N 1 1 480.617 3.949 20 5 JHBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306405291 1068872325 /nfs/dbraw/zinc/87/23/25/1068872325.db2.gz CQZWJANBFWUPJX-IIZPIQPGSA-N 1 1 486.617 3.604 20 5 JHBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164712701 720139709 /nfs/dbraw/zinc/13/97/09/720139709.db2.gz OMQDHRUZOQXFMX-HSZRJFAPSA-N 1 1 474.565 3.954 20 5 JHBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CCC2 ZINC001164811950 720220357 /nfs/dbraw/zinc/22/03/57/720220357.db2.gz BGLPMJGHMMFKFA-UHFFFAOYSA-N 1 1 456.934 3.604 20 5 JHBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CCC2 ZINC001164816799 720245788 /nfs/dbraw/zinc/24/57/88/720245788.db2.gz MTXZFOLHGMZDGP-UHFFFAOYSA-N 1 1 456.934 3.604 20 5 JHBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164747509 720848508 /nfs/dbraw/zinc/84/85/08/720848508.db2.gz RAWSRVBSDMWMPA-HGHGUNKESA-N 1 1 467.961 3.767 20 5 JHBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164758172 720886387 /nfs/dbraw/zinc/88/63/87/720886387.db2.gz XJXYTZDWUXHNJZ-LVXARBLLSA-N 1 1 474.565 3.688 20 5 JHBDMO CN(C)/C=C\c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754195 720908270 /nfs/dbraw/zinc/90/82/70/720908270.db2.gz UGVNHEUEPBWULX-DXKDYLDYSA-N 1 1 492.624 3.672 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)ccc1Cl ZINC001164874506 721171729 /nfs/dbraw/zinc/17/17/29/721171729.db2.gz KEFUJTMAWDGNHJ-RBUKOAKNSA-N 1 1 466.929 3.580 20 5 JHBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936258 721889651 /nfs/dbraw/zinc/88/96/51/721889651.db2.gz YWEMUWPIZXZBIF-GOTSBHOMSA-N 1 1 461.566 3.937 20 5 JHBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936258 721889653 /nfs/dbraw/zinc/88/96/53/721889653.db2.gz YWEMUWPIZXZBIF-GOTSBHOMSA-N 1 1 461.566 3.937 20 5 JHBDMO Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164961644 722060514 /nfs/dbraw/zinc/06/05/14/722060514.db2.gz NNKBECSSVIMUIH-UHFFFAOYSA-N 1 1 474.565 3.874 20 5 JHBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982689 722111494 /nfs/dbraw/zinc/11/14/94/722111494.db2.gz XRYXEVLVHPMPLT-XLIONFOSSA-N 1 1 453.930 3.919 20 5 JHBDMO CCc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978034 722147021 /nfs/dbraw/zinc/14/70/21/722147021.db2.gz JIJHOWQTVIOVMP-URXFXBBRSA-N 1 1 474.565 3.737 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)ccc1Cl ZINC001164982143 722150834 /nfs/dbraw/zinc/15/08/34/722150834.db2.gz RDWRKROPWWLBOG-WMZHIEFXSA-N 1 1 480.956 3.828 20 5 JHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC(C)(C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC001307603697 1070077399 /nfs/dbraw/zinc/07/73/99/1070077399.db2.gz QXPWXBMNRKFRSP-HSZRJFAPSA-N 1 1 454.571 3.873 20 5 JHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC(C)(C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC001307603697 1070077418 /nfs/dbraw/zinc/07/74/18/1070077418.db2.gz QXPWXBMNRKFRSP-HSZRJFAPSA-N 1 1 454.571 3.873 20 5 JHBDMO COc1ccc(NC(=O)[C@H](C)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC001308009384 1070278383 /nfs/dbraw/zinc/27/83/83/1070278383.db2.gz RIBSTIKIALVZLZ-RIEVBORMSA-N 1 1 452.555 3.774 20 5 JHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001308031803 1070287541 /nfs/dbraw/zinc/28/75/41/1070287541.db2.gz RMHSUMQWKZNRPJ-CJFMBICVSA-N 1 1 452.555 3.597 20 5 JHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC001313585317 1070709924 /nfs/dbraw/zinc/70/99/24/1070709924.db2.gz WHZFVRNYLURNIL-UHFFFAOYSA-N 1 1 455.607 3.648 20 5 JHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001313585317 1070709927 /nfs/dbraw/zinc/70/99/27/1070709927.db2.gz WHZFVRNYLURNIL-UHFFFAOYSA-N 1 1 455.607 3.648 20 5 JHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001313585317 1070709942 /nfs/dbraw/zinc/70/99/42/1070709942.db2.gz WHZFVRNYLURNIL-UHFFFAOYSA-N 1 1 455.607 3.648 20 5 JHBDMO CC(C)Oc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[NH+](C)C)cc1 ZINC001309547590 1070846596 /nfs/dbraw/zinc/84/65/96/1070846596.db2.gz NSHRKNKUMQVYJE-FQEVSTJZSA-N 1 1 458.540 3.511 20 5 JHBDMO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314833144 1071169137 /nfs/dbraw/zinc/16/91/37/1071169137.db2.gz IFZVNJLQJOVRKQ-HXUWFJFHSA-N 1 1 456.591 3.634 20 5 JHBDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313910523 1071534477 /nfs/dbraw/zinc/53/44/77/1071534477.db2.gz VWUMAFZGAFIXNH-NRFANRHFSA-N 1 1 499.616 3.785 20 5 JHBDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313919717 1071557713 /nfs/dbraw/zinc/55/77/13/1071557713.db2.gz FRRSXQOWIOAKIS-VQTJNVASSA-N 1 1 469.634 3.752 20 5 JHBDMO CC[NH+]1CCN(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313954526 1071651713 /nfs/dbraw/zinc/65/17/13/1071651713.db2.gz PRJHDXQXUBVTEX-HXUWFJFHSA-N 1 1 455.607 3.507 20 5 JHBDMO C[NH+](C)/C=C/c1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001164670077 719522303 /nfs/dbraw/zinc/52/23/03/719522303.db2.gz AWNBBSYCOLETRN-JXMROGBWSA-N 1 1 455.534 3.533 20 5 JHBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164710818 720148840 /nfs/dbraw/zinc/14/88/40/720148840.db2.gz DDSZSUFDJZNKCU-NRFANRHFSA-N 1 1 474.565 3.954 20 5 JHBDMO CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164744781 720851359 /nfs/dbraw/zinc/85/13/59/720851359.db2.gz CJTPPXSIQIAQQY-FGCOXFRFSA-N 1 1 488.596 3.585 20 5 JHBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164752991 720875527 /nfs/dbraw/zinc/87/55/27/720875527.db2.gz OCSIHNAZPRJCMM-LVXARBLLSA-N 1 1 474.565 3.688 20 5 JHBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755761 720878005 /nfs/dbraw/zinc/87/80/05/720878005.db2.gz YSPHYYNDNULQJU-XXBNENTESA-N 1 1 457.962 3.793 20 5 JHBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164754489 720896102 /nfs/dbraw/zinc/89/61/02/720896102.db2.gz JCJZQYKRYYECLC-CPJSRVTESA-N 1 1 462.554 3.621 20 5 JHBDMO CN(C)/C=C\c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754196 720907948 /nfs/dbraw/zinc/90/79/48/720907948.db2.gz UGVNHEUEPBWULX-GHWGXPKISA-N 1 1 492.624 3.672 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164783327 721455789 /nfs/dbraw/zinc/45/57/89/721455789.db2.gz BLKLNMMFLFKKRS-SFHVURJKSA-N 1 1 488.963 3.922 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164783231 721456121 /nfs/dbraw/zinc/45/61/21/721456121.db2.gz AHFXZHFQWLJQAG-SFHVURJKSA-N 1 1 452.983 3.686 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164790100 721469803 /nfs/dbraw/zinc/46/98/03/721469803.db2.gz QWIYRGJTZXWBIY-OAQYLSRUSA-N 1 1 499.587 3.925 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908562 721554182 /nfs/dbraw/zinc/55/41/82/721554182.db2.gz QIQTWOZVRDENOH-DGCLKSJQSA-N 1 1 461.803 3.538 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)n2)cc1[N+](=O)[O-] ZINC001164932304 721880247 /nfs/dbraw/zinc/88/02/47/721880247.db2.gz IMHFQXDOZSIWFR-RBUKOAKNSA-N 1 1 452.584 3.790 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC001164932304 721880249 /nfs/dbraw/zinc/88/02/49/721880249.db2.gz IMHFQXDOZSIWFR-RBUKOAKNSA-N 1 1 452.584 3.790 20 5 JHBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001307057081 1069831538 /nfs/dbraw/zinc/83/15/38/1069831538.db2.gz VKGMNXCLLUYVGP-IRLDBZIGSA-N 1 1 483.617 3.613 20 5 JHBDMO CCCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@H]2C)CC1=O ZINC001307061944 1069857173 /nfs/dbraw/zinc/85/71/73/1069857173.db2.gz OTJWXGIFRNSRIJ-HXUWFJFHSA-N 1 1 483.617 3.567 20 5 JHBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC001307086151 1069888361 /nfs/dbraw/zinc/88/83/61/1069888361.db2.gz RXRQKDIXQXNHGS-UHFFFAOYSA-N 1 1 452.433 3.896 20 5 JHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)cc1C ZINC001307195442 1069906269 /nfs/dbraw/zinc/90/62/69/1069906269.db2.gz JHHQMHZJQGKMDR-UQBPGWFLSA-N 1 1 453.539 3.950 20 5 JHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001307500847 1070019550 /nfs/dbraw/zinc/01/95/50/1070019550.db2.gz TWCUDZASEVUYAG-CYBMUJFWSA-N 1 1 452.271 3.980 20 5 JHBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001307500847 1070019567 /nfs/dbraw/zinc/01/95/67/1070019567.db2.gz TWCUDZASEVUYAG-CYBMUJFWSA-N 1 1 452.271 3.980 20 5 JHBDMO CCOC(=O)C1=C(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307623720 1070085978 /nfs/dbraw/zinc/08/59/78/1070085978.db2.gz YXJLZHLCLVBJGA-XCLFUZPHSA-N 1 1 458.902 3.770 20 5 JHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001307749349 1070164632 /nfs/dbraw/zinc/16/46/32/1070164632.db2.gz NHUDWZZADFCFCD-INIZCTEOSA-N 1 1 450.536 3.701 20 5 JHBDMO NC(=O)[C@@H](C1CC1)[N@H+](CC1CC1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308015303 1070281419 /nfs/dbraw/zinc/28/14/19/1070281419.db2.gz MNERKXWKPSQOFV-RTWAWAEBSA-N 1 1 456.930 3.904 20 5 JHBDMO NC(=O)[C@@H](C1CC1)[N@@H+](CC1CC1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308015303 1070281424 /nfs/dbraw/zinc/28/14/24/1070281424.db2.gz MNERKXWKPSQOFV-RTWAWAEBSA-N 1 1 456.930 3.904 20 5 JHBDMO COc1ccc(-c2ccc(CNc3cccc(C[N@H+]4CCC[C@@H]4C(N)=O)c3)o2)c([N+](=O)[O-])c1 ZINC001308325080 1070356295 /nfs/dbraw/zinc/35/62/95/1070356295.db2.gz TYEWXKMXMCAZTD-OAQYLSRUSA-N 1 1 450.495 3.925 20 5 JHBDMO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001308903753 1070456720 /nfs/dbraw/zinc/45/67/20/1070456720.db2.gz YFVGUVAOBSWFRT-DEOSSOPVSA-N 1 1 459.543 3.743 20 5 JHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001309112893 1070545935 /nfs/dbraw/zinc/54/59/35/1070545935.db2.gz RBUKOFQDVBXJAR-INIZCTEOSA-N 1 1 457.474 3.804 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1C ZINC001309191145 1070594789 /nfs/dbraw/zinc/59/47/89/1070594789.db2.gz QTYUDYKRZPIRQD-QGZVFWFLSA-N 1 1 457.474 3.783 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1C ZINC001309191145 1070594803 /nfs/dbraw/zinc/59/48/03/1070594803.db2.gz QTYUDYKRZPIRQD-QGZVFWFLSA-N 1 1 457.474 3.783 20 5 JHBDMO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309767422 1070960325 /nfs/dbraw/zinc/96/03/25/1070960325.db2.gz KSXLGCKODAUBSZ-YOEHRIQHSA-N 1 1 457.474 3.803 20 5 JHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309767422 1070960330 /nfs/dbraw/zinc/96/03/30/1070960330.db2.gz KSXLGCKODAUBSZ-YOEHRIQHSA-N 1 1 457.474 3.803 20 5 JHBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001309871360 1071001218 /nfs/dbraw/zinc/00/12/18/1071001218.db2.gz NARYHKMRBUWWTC-CVEARBPZSA-N 1 1 453.923 3.530 20 5 JHBDMO CN(C[C@@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314788768 1071065513 /nfs/dbraw/zinc/06/55/13/1071065513.db2.gz JDAIEHRAUALBBN-HXUWFJFHSA-N 1 1 467.618 3.672 20 5 JHBDMO CN(C[C@@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314788768 1071065526 /nfs/dbraw/zinc/06/55/26/1071065526.db2.gz JDAIEHRAUALBBN-HXUWFJFHSA-N 1 1 467.618 3.672 20 5 JHBDMO CN(C[C@@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314788768 1071065542 /nfs/dbraw/zinc/06/55/42/1071065542.db2.gz JDAIEHRAUALBBN-HXUWFJFHSA-N 1 1 467.618 3.672 20 5 JHBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314830647 1071162177 /nfs/dbraw/zinc/16/21/77/1071162177.db2.gz VETVXGSWTDYVMD-NRFANRHFSA-N 1 1 451.575 3.981 20 5 JHBDMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC001310224866 1071219344 /nfs/dbraw/zinc/21/93/44/1071219344.db2.gz TZIHJRZCZRRXLH-UHFFFAOYSA-N 1 1 451.527 3.569 20 5 JHBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313860982 1071371653 /nfs/dbraw/zinc/37/16/53/1071371653.db2.gz NWYWRTXKMFOTEX-OKZBNKHCSA-N 1 1 495.550 3.656 20 5 JHBDMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313892323 1071486899 /nfs/dbraw/zinc/48/68/99/1071486899.db2.gz XWCXKMCVZUAQFV-ICSRJNTNSA-N 1 1 499.616 3.689 20 5 JHBDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313949484 1071636330 /nfs/dbraw/zinc/63/63/30/1071636330.db2.gz IVVRVSOPFUAFLM-UYAOXDASSA-N 1 1 491.587 3.608 20 5 JHBDMO CC[NH+]1CCN(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313955508 1071655539 /nfs/dbraw/zinc/65/55/39/1071655539.db2.gz VHBZPIMQAGWHRH-VWLOTQADSA-N 1 1 469.634 3.897 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001306320088 1068747302 /nfs/dbraw/zinc/74/73/02/1068747302.db2.gz PITDUUGCRJKMHL-IFMALSPDSA-N 1 1 456.591 3.979 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001306320188 1068747957 /nfs/dbraw/zinc/74/79/57/1068747957.db2.gz RCVMIDQWTYNXNM-TZIWHRDSSA-N 1 1 456.591 3.981 20 5 JHBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740141 720697611 /nfs/dbraw/zinc/69/76/11/720697611.db2.gz QHSQVIRUQOZKDV-GOEBONIOSA-N 1 1 486.891 3.707 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737485 720764448 /nfs/dbraw/zinc/76/44/48/720764448.db2.gz BVYARYLPVLNBQO-ZWKOTPCHSA-N 1 1 489.561 3.707 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737482 720764901 /nfs/dbraw/zinc/76/49/01/720764901.db2.gz BVYARYLPVLNBQO-MSOLQXFVSA-N 1 1 489.561 3.707 20 5 JHBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742611 720824504 /nfs/dbraw/zinc/82/45/04/720824504.db2.gz QCJPORPGLFFOKD-MBOZVWFJSA-N 1 1 467.961 3.767 20 5 JHBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742614 720824594 /nfs/dbraw/zinc/82/45/94/720824594.db2.gz QCJPORPGLFFOKD-SQGPQFPESA-N 1 1 467.961 3.767 20 5 JHBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755759 720877966 /nfs/dbraw/zinc/87/79/66/720877966.db2.gz YSPHYYNDNULQJU-CVDCTZTESA-N 1 1 457.962 3.793 20 5 JHBDMO O=[N+]([O-])c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc2c1 ZINC001164748423 720878544 /nfs/dbraw/zinc/87/85/44/720878544.db2.gz DTDHBLOVRGWZHZ-LVXARBLLSA-N 1 1 474.565 3.688 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750679 720880604 /nfs/dbraw/zinc/88/06/04/720880604.db2.gz JNDOYJYFVMISHU-VGOFRKELSA-N 1 1 493.395 3.842 20 5 JHBDMO CCOc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164752756 720899217 /nfs/dbraw/zinc/89/92/17/720899217.db2.gz FYOVDHFNXVGGKZ-BWKNWUBXSA-N 1 1 467.570 3.539 20 5 JHBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164888803 721405223 /nfs/dbraw/zinc/40/52/23/721405223.db2.gz OQVQYTVESCYSAA-UZUQRXQVSA-N 1 1 459.978 3.562 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164787502 721474148 /nfs/dbraw/zinc/47/41/48/721474148.db2.gz GGCHUVYIOSMZGK-IBGZPJMESA-N 1 1 490.004 3.925 20 5 JHBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165023388 721839274 /nfs/dbraw/zinc/83/92/74/721839274.db2.gz WGDKOXUWHDWIKF-UHFFFAOYSA-N 1 1 456.330 3.810 20 5 JHBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936260 721889670 /nfs/dbraw/zinc/88/96/70/721889670.db2.gz YWEMUWPIZXZBIF-XZOQPEGZSA-N 1 1 461.566 3.937 20 5 JHBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936260 721889672 /nfs/dbraw/zinc/88/96/72/721889672.db2.gz YWEMUWPIZXZBIF-XZOQPEGZSA-N 1 1 461.566 3.937 20 5 JHBDMO COc1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2cc1[N+](=O)[O-] ZINC001164940863 721926472 /nfs/dbraw/zinc/92/64/72/721926472.db2.gz VIAJPQSLMORQRC-UHFFFAOYSA-N 1 1 463.538 3.726 20 5 JHBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164973846 722125662 /nfs/dbraw/zinc/12/56/62/722125662.db2.gz HMLPEVIRMNHVRE-DYESRHJHSA-N 1 1 453.930 3.919 20 5 JHBDMO CCc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978032 722147278 /nfs/dbraw/zinc/14/72/78/722147278.db2.gz JIJHOWQTVIOVMP-QPPBQGQZSA-N 1 1 474.565 3.737 20 5 JHBDMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001306660881 1069380365 /nfs/dbraw/zinc/38/03/65/1069380365.db2.gz AFEMPCFSNFTXAR-FQEVSTJZSA-N 1 1 497.644 3.670 20 5 JHBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001306682042 1069412643 /nfs/dbraw/zinc/41/26/43/1069412643.db2.gz AMUJPGASPSZDON-QAPCUYQASA-N 1 1 470.496 3.741 20 5 JHBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001311686796 1069503479 /nfs/dbraw/zinc/50/34/79/1069503479.db2.gz ALRPAZZBICUDNV-JKSUJKDBSA-N 1 1 457.497 3.566 20 5 JHBDMO CCC[N@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001307040264 1069766849 /nfs/dbraw/zinc/76/68/49/1069766849.db2.gz KPKFQAJTTLEHCP-SFHVURJKSA-N 1 1 469.615 3.910 20 5 JHBDMO CC[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312218783 1069789411 /nfs/dbraw/zinc/78/94/11/1069789411.db2.gz PVWHCQGWDYRYSL-LADGPHEKSA-N 1 1 452.555 3.948 20 5 JHBDMO CC[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312218783 1069789424 /nfs/dbraw/zinc/78/94/24/1069789424.db2.gz PVWHCQGWDYRYSL-LADGPHEKSA-N 1 1 452.555 3.948 20 5 JHBDMO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307623717 1070086318 /nfs/dbraw/zinc/08/63/18/1070086318.db2.gz YXJLZHLCLVBJGA-RBZFPXEDSA-N 1 1 458.902 3.770 20 5 JHBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307648926 1070100893 /nfs/dbraw/zinc/10/08/93/1070100893.db2.gz CPDHRCQXMHHYQZ-RDJZCZTQSA-N 1 1 450.536 3.557 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001307810704 1070193941 /nfs/dbraw/zinc/19/39/41/1070193941.db2.gz MGTUXZAIQCFKHR-UTKZUKDTSA-N 1 1 456.930 3.872 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001307810704 1070193946 /nfs/dbraw/zinc/19/39/46/1070193946.db2.gz MGTUXZAIQCFKHR-UTKZUKDTSA-N 1 1 456.930 3.872 20 5 JHBDMO CCOCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001314392524 1070249091 /nfs/dbraw/zinc/24/90/91/1070249091.db2.gz ZXAPIFQKVMZCTB-FQEVSTJZSA-N 1 1 485.633 3.560 20 5 JHBDMO COc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c(OC)c1OC ZINC001308207098 1070340651 /nfs/dbraw/zinc/34/06/51/1070340651.db2.gz ALXQCQXNATUCLA-UHFFFAOYSA-N 1 1 458.252 3.515 20 5 JHBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001308836641 1070445301 /nfs/dbraw/zinc/44/53/01/1070445301.db2.gz SXPQTIWUCXNNPT-VQTJNVASSA-N 1 1 470.522 3.704 20 5 JHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001309872711 1071001994 /nfs/dbraw/zinc/00/19/94/1071001994.db2.gz XIXVVGFSZIBJTE-SJORKVTESA-N 1 1 469.485 3.756 20 5 JHBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(C2CCCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314830085 1071161100 /nfs/dbraw/zinc/16/11/00/1071161100.db2.gz MZAOQNVFCQPTFJ-UHFFFAOYSA-N 1 1 456.591 3.634 20 5 JHBDMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313910303 1071535274 /nfs/dbraw/zinc/53/52/74/1071535274.db2.gz FSQLSEKCMRSCOU-RBBKRZOGSA-N 1 1 456.591 3.980 20 5 JHBDMO CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOCC2(C)C)s1 ZINC001305996916 1068363098 /nfs/dbraw/zinc/36/30/98/1068363098.db2.gz WKUWPXJORWRSDQ-UHFFFAOYSA-N 1 1 485.614 3.619 20 5 JHBDMO CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOCC2(C)C)s1 ZINC001305996916 1068363108 /nfs/dbraw/zinc/36/31/08/1068363108.db2.gz WKUWPXJORWRSDQ-UHFFFAOYSA-N 1 1 485.614 3.619 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694940 719887192 /nfs/dbraw/zinc/88/71/92/719887192.db2.gz HVMRBUURYFWQEY-UHFFFAOYSA-N 1 1 480.974 3.753 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694940 719887193 /nfs/dbraw/zinc/88/71/93/719887193.db2.gz HVMRBUURYFWQEY-UHFFFAOYSA-N 1 1 480.974 3.753 20 5 JHBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695689 719887376 /nfs/dbraw/zinc/88/73/76/719887376.db2.gz QXLOZHLSONODHY-UHFFFAOYSA-N 1 1 455.993 3.693 20 5 JHBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164695689 719887380 /nfs/dbraw/zinc/88/73/80/719887380.db2.gz QXLOZHLSONODHY-UHFFFAOYSA-N 1 1 455.993 3.693 20 5 JHBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852383 720855436 /nfs/dbraw/zinc/85/54/36/720855436.db2.gz COQMLMCIAGZNNS-BTYIYWSLSA-N 1 1 480.924 3.748 20 5 JHBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753481 720871926 /nfs/dbraw/zinc/87/19/26/720871926.db2.gz PNUPDJXBYOZQAP-WMZHIEFXSA-N 1 1 457.962 3.793 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750676 720880907 /nfs/dbraw/zinc/88/09/07/720880907.db2.gz JNDOYJYFVMISHU-JTSKRJEESA-N 1 1 493.395 3.842 20 5 JHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756610 720886126 /nfs/dbraw/zinc/88/61/26/720886126.db2.gz QXWWHVHCBRGNBA-RLWLMLJZSA-N 1 1 474.565 3.688 20 5 JHBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164861552 720890682 /nfs/dbraw/zinc/89/06/82/720890682.db2.gz PTQISFQOLWNYQZ-HFZDXXHNSA-N 1 1 492.576 3.896 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001164776200 721334245 /nfs/dbraw/zinc/33/42/45/721334245.db2.gz DEYCHAZHVGRQQK-HXUWFJFHSA-N 1 1 485.919 3.912 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001164776200 721334251 /nfs/dbraw/zinc/33/42/51/721334251.db2.gz DEYCHAZHVGRQQK-HXUWFJFHSA-N 1 1 485.919 3.912 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C2)C1 ZINC001164785305 721364962 /nfs/dbraw/zinc/36/49/62/721364962.db2.gz UIEFGPZYRJYZJW-RUZDIDTESA-N 1 1 478.553 3.776 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C2)C1 ZINC001164785305 721364967 /nfs/dbraw/zinc/36/49/67/721364967.db2.gz UIEFGPZYRJYZJW-RUZDIDTESA-N 1 1 478.553 3.776 20 5 JHBDMO Cc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001164808817 721569613 /nfs/dbraw/zinc/56/96/13/721569613.db2.gz VVEARVPNCGGRFN-NMVJMZGASA-N 1 1 460.538 3.623 20 5 JHBDMO Cc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001164808817 721569617 /nfs/dbraw/zinc/56/96/17/721569617.db2.gz VVEARVPNCGGRFN-NMVJMZGASA-N 1 1 460.538 3.623 20 5 JHBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963862 722054316 /nfs/dbraw/zinc/05/43/16/722054316.db2.gz ORUWGLNYBCPOPR-UHFFFAOYSA-N 1 1 452.342 3.811 20 5 JHBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164977072 722142744 /nfs/dbraw/zinc/14/27/44/722142744.db2.gz ILVQTCDJLUVMFM-JTSKRJEESA-N 1 1 453.930 3.919 20 5 JHBDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001307033201 1069747732 /nfs/dbraw/zinc/74/77/32/1069747732.db2.gz JOTMMKXYRGEFOJ-FQEVSTJZSA-N 1 1 497.644 3.668 20 5 JHBDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@](C)(OC)CC2)C1 ZINC001307033763 1069748144 /nfs/dbraw/zinc/74/81/44/1069748144.db2.gz MEOXZHYYNPCNJB-NTKDMRAZSA-N 1 1 456.591 3.981 20 5 JHBDMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H](C)CC)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001307037947 1069759932 /nfs/dbraw/zinc/75/99/32/1069759932.db2.gz XXDLNFBEUDJHPF-VQTJNVASSA-N 1 1 455.607 3.758 20 5 JHBDMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001307040263 1069766607 /nfs/dbraw/zinc/76/66/07/1069766607.db2.gz KPKFQAJTTLEHCP-GOSISDBHSA-N 1 1 469.615 3.910 20 5 JHBDMO CCCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+](C)C2CCCCC2)CC1=O ZINC001307062660 1069860062 /nfs/dbraw/zinc/86/00/62/1069860062.db2.gz SJTVYMLAQPFBNT-UHFFFAOYSA-N 1 1 497.644 3.957 20 5 JHBDMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001307175350 1069903895 /nfs/dbraw/zinc/90/38/95/1069903895.db2.gz FIRGBKPQDGRJCQ-HNNXBMFYSA-N 1 1 459.419 3.872 20 5 JHBDMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001307175350 1069903910 /nfs/dbraw/zinc/90/39/10/1069903910.db2.gz FIRGBKPQDGRJCQ-HNNXBMFYSA-N 1 1 459.419 3.872 20 5 JHBDMO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc[nH+]c2C)C1(C)C ZINC001314243250 1069951397 /nfs/dbraw/zinc/95/13/97/1069951397.db2.gz KUOHWVVZERDXPU-WOJBJXKFSA-N 1 1 453.547 3.698 20 5 JHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001307516760 1070030069 /nfs/dbraw/zinc/03/00/69/1070030069.db2.gz KMWNBIILBVCYIW-GOSISDBHSA-N 1 1 451.308 3.906 20 5 JHBDMO CCOC(=O)C1=C(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307623723 1070086505 /nfs/dbraw/zinc/08/65/05/1070086505.db2.gz YXJLZHLCLVBJGA-ZUOKHONESA-N 1 1 458.902 3.770 20 5 JHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001307844722 1070209641 /nfs/dbraw/zinc/20/96/41/1070209641.db2.gz SBHRDAOSKJEGKT-IMSXRSKXSA-N 1 1 458.518 3.784 20 5 JHBDMO Cc1cccc(-c2noc(CC3CC[NH+]([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)n1 ZINC001308078327 1070305546 /nfs/dbraw/zinc/30/55/46/1070305546.db2.gz TZBSBLNWBMNUEX-MRXNPFEDSA-N 1 1 450.499 3.630 20 5 JHBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001308109493 1070316048 /nfs/dbraw/zinc/31/60/48/1070316048.db2.gz AJZLKTWGAUBXBD-UHFFFAOYSA-N 1 1 458.353 3.863 20 5 JHBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309246666 1070641749 /nfs/dbraw/zinc/64/17/49/1070641749.db2.gz MGQXPEWUQDDQAV-INIZCTEOSA-N 1 1 455.939 3.920 20 5 JHBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001309260288 1070652480 /nfs/dbraw/zinc/65/24/80/1070652480.db2.gz CNADHBCAKPRBLS-WMLDXEAASA-N 1 1 457.474 3.945 20 5 JHBDMO O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001309756318 1070955895 /nfs/dbraw/zinc/95/58/95/1070955895.db2.gz DWXRVZZLCCSQNZ-LJQANCHMSA-N 1 1 454.552 3.866 20 5 JHBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001309914993 1071015806 /nfs/dbraw/zinc/01/58/06/1071015806.db2.gz HZSYNGHRLASHKC-LOSJGSFVSA-N 1 1 465.575 3.725 20 5 JHBDMO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314834226 1071172877 /nfs/dbraw/zinc/17/28/77/1071172877.db2.gz RZMQCPHXUVTLJT-UHFFFAOYSA-N 1 1 497.669 3.544 20 5 JHBDMO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314834226 1071172885 /nfs/dbraw/zinc/17/28/85/1071172885.db2.gz RZMQCPHXUVTLJT-UHFFFAOYSA-N 1 1 497.669 3.544 20 5 JHBDMO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314834226 1071172891 /nfs/dbraw/zinc/17/28/91/1071172891.db2.gz RZMQCPHXUVTLJT-UHFFFAOYSA-N 1 1 497.669 3.544 20 5 JHBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@H]1C ZINC001313859335 1071363792 /nfs/dbraw/zinc/36/37/92/1071363792.db2.gz FZZXEXDISZAMBM-IAGOWNOFSA-N 1 1 455.588 3.862 20 5 JHBDMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001313933164 1071596914 /nfs/dbraw/zinc/59/69/14/1071596914.db2.gz YEEDITZXJJJOJD-HXUWFJFHSA-N 1 1 483.661 3.970 20 5 JHBDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313949482 1071636453 /nfs/dbraw/zinc/63/64/53/1071636453.db2.gz IVVRVSOPFUAFLM-QUCCMNQESA-N 1 1 491.587 3.608 20 5 JHBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313949479 1071636487 /nfs/dbraw/zinc/63/64/87/1071636487.db2.gz IVVRVSOPFUAFLM-AZUAARDMSA-N 1 1 491.587 3.608 20 5 JHBDMO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001314014980 1071756372 /nfs/dbraw/zinc/75/63/72/1071756372.db2.gz ZBUWAHPMFBYHOE-QFIPXVFZSA-N 1 1 499.616 3.785 20 5 JHBDMO CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001306028349 1068425173 /nfs/dbraw/zinc/42/51/73/1068425173.db2.gz AXGILURTUULMQS-OAQYLSRUSA-N 1 1 499.641 3.865 20 5 JHBDMO CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001306043485 1068461402 /nfs/dbraw/zinc/46/14/02/1068461402.db2.gz QTCVZRDYIYYHPP-ZWKOTPCHSA-N 1 1 480.617 3.679 20 5 JHBDMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001306325401 1068762512 /nfs/dbraw/zinc/76/25/12/1068762512.db2.gz XTXJFGWEHAADJA-SFTDATJTSA-N 1 1 456.591 3.634 20 5 JHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001310659529 1069093081 /nfs/dbraw/zinc/09/30/81/1069093081.db2.gz DLKVBCAOOXECAV-CJNGLKHVSA-N 1 1 457.369 3.924 20 5 JHBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164734496 720461488 /nfs/dbraw/zinc/46/14/88/720461488.db2.gz SXDSRUQEAGIXOZ-MOPGFXCFSA-N 1 1 490.593 3.709 20 5 JHBDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838421 720521919 /nfs/dbraw/zinc/52/19/19/720521919.db2.gz QVEZPYULPJZRQI-OWCLPIDISA-N 1 1 454.909 3.762 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737483 720765510 /nfs/dbraw/zinc/76/55/10/720765510.db2.gz BVYARYLPVLNBQO-QZTJIDSGSA-N 1 1 489.561 3.707 20 5 JHBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852388 720855138 /nfs/dbraw/zinc/85/51/38/720855138.db2.gz COQMLMCIAGZNNS-YCRPNKLZSA-N 1 1 480.924 3.748 20 5 JHBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1-c1ccccc1 ZINC001164749329 720858350 /nfs/dbraw/zinc/85/83/50/720858350.db2.gz MZSBUHMFURYCHB-YPAWHYETSA-N 1 1 459.554 3.628 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750660 720880646 /nfs/dbraw/zinc/88/06/46/720880646.db2.gz JNDOYJYFVMISHU-HTAPYJJXSA-N 1 1 493.395 3.842 20 5 JHBDMO Cc1c(C)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164753455 720894083 /nfs/dbraw/zinc/89/40/83/720894083.db2.gz GWRVMZMGRVXJKR-DHLKQENFSA-N 1 1 451.571 3.757 20 5 JHBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164754493 720896675 /nfs/dbraw/zinc/89/66/75/720896675.db2.gz JCJZQYKRYYECLC-NLFFAJNJSA-N 1 1 462.554 3.621 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)C1 ZINC001164779962 721348450 /nfs/dbraw/zinc/34/84/50/721348450.db2.gz XESXRFMXGZSLBA-DEOSSOPVSA-N 1 1 451.527 3.867 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164784031 721371802 /nfs/dbraw/zinc/37/18/02/721371802.db2.gz QFEODZISMZMWCZ-RUZDIDTESA-N 1 1 496.543 3.915 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164784031 721371809 /nfs/dbraw/zinc/37/18/09/721371809.db2.gz QFEODZISMZMWCZ-RUZDIDTESA-N 1 1 496.543 3.915 20 5 JHBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164889107 721450828 /nfs/dbraw/zinc/45/08/28/721450828.db2.gz NMPZPTPFGUWAAC-WZONZLPQSA-N 1 1 459.978 3.562 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)CC2 ZINC001164791187 721468362 /nfs/dbraw/zinc/46/83/62/721468362.db2.gz VCZZPXDDGNFJKX-FQEVSTJZSA-N 1 1 462.591 3.511 20 5 JHBDMO Cc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001164808820 721569811 /nfs/dbraw/zinc/56/98/11/721569811.db2.gz VVEARVPNCGGRFN-VTZPFEBOSA-N 1 1 460.538 3.623 20 5 JHBDMO Cc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001164808820 721569813 /nfs/dbraw/zinc/56/98/13/721569813.db2.gz VVEARVPNCGGRFN-VTZPFEBOSA-N 1 1 460.538 3.623 20 5 JHBDMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164808864 721582442 /nfs/dbraw/zinc/58/24/42/721582442.db2.gz QZCHDAWSZRLCMD-GPXNEJASSA-N 1 1 460.538 3.623 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025921 721802809 /nfs/dbraw/zinc/80/28/09/721802809.db2.gz PVOQJWWMDQYCJM-ZYSHUDEJSA-N 1 1 473.961 3.952 20 5 JHBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc(SC)c2[N+](=O)[O-])CC1 ZINC001165023217 721841682 /nfs/dbraw/zinc/84/16/82/721841682.db2.gz YSTKQWDRQWJQRB-UHFFFAOYSA-N 1 1 467.979 3.878 20 5 JHBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964640 722055289 /nfs/dbraw/zinc/05/52/89/722055289.db2.gz WHXLOICWXCIPAW-UHFFFAOYSA-N 1 1 452.342 3.811 20 5 JHBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)c1 ZINC001164967890 722077777 /nfs/dbraw/zinc/07/77/77/722077777.db2.gz MLFOLYLSVDQDHY-CALCHBBNSA-N 1 1 465.888 3.550 20 5 JHBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)c1 ZINC001164967890 722077779 /nfs/dbraw/zinc/07/77/79/722077779.db2.gz MLFOLYLSVDQDHY-CALCHBBNSA-N 1 1 465.888 3.550 20 5 JHBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164977071 722142576 /nfs/dbraw/zinc/14/25/76/722142576.db2.gz ILVQTCDJLUVMFM-HTAPYJJXSA-N 1 1 453.930 3.919 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)ccc1Cl ZINC001164982139 722150849 /nfs/dbraw/zinc/15/08/49/722150849.db2.gz RDWRKROPWWLBOG-CVDCTZTESA-N 1 1 480.956 3.828 20 5 JHBDMO CCCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1=O ZINC001307061942 1069856880 /nfs/dbraw/zinc/85/68/80/1069856880.db2.gz OTJWXGIFRNSRIJ-FQEVSTJZSA-N 1 1 483.617 3.567 20 5 JHBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001307063742 1069863532 /nfs/dbraw/zinc/86/35/32/1069863532.db2.gz WIYPDHIHKHNPCH-IBGZPJMESA-N 1 1 450.547 3.544 20 5 JHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC001307555456 1070050638 /nfs/dbraw/zinc/05/06/38/1070050638.db2.gz BREZGGLFMPIUJV-GOSISDBHSA-N 1 1 450.495 3.872 20 5 JHBDMO CCOc1cc(N2CC[NH+](CCCC(=O)Nc3ccccc3C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC001307734622 1070157727 /nfs/dbraw/zinc/15/77/27/1070157727.db2.gz QHLCUSQAPAEUJK-UHFFFAOYSA-N 1 1 454.527 3.737 20 5 JHBDMO NC(=O)[C@H](C1CC1)[N@H+](CC1CC1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308015304 1070281481 /nfs/dbraw/zinc/28/14/81/1070281481.db2.gz MNERKXWKPSQOFV-SFTDATJTSA-N 1 1 456.930 3.904 20 5 JHBDMO NC(=O)[C@H](C1CC1)[N@@H+](CC1CC1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308015304 1070281486 /nfs/dbraw/zinc/28/14/86/1070281486.db2.gz MNERKXWKPSQOFV-SFTDATJTSA-N 1 1 456.930 3.904 20 5 JHBDMO NC(=O)[C@@H](C1CC1)[N@H+](CC1CC1)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308015302 1070281550 /nfs/dbraw/zinc/28/15/50/1070281550.db2.gz MNERKXWKPSQOFV-NHCUHLMSSA-N 1 1 456.930 3.904 20 5 JHBDMO NC(=O)[C@@H](C1CC1)[N@@H+](CC1CC1)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308015302 1070281563 /nfs/dbraw/zinc/28/15/63/1070281563.db2.gz MNERKXWKPSQOFV-NHCUHLMSSA-N 1 1 456.930 3.904 20 5 JHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)O1 ZINC001308031688 1070286341 /nfs/dbraw/zinc/28/63/41/1070286341.db2.gz ORUUVNBRATUSNW-UZUQRXQVSA-N 1 1 458.946 3.552 20 5 JHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362703 1070361940 /nfs/dbraw/zinc/36/19/40/1070361940.db2.gz DSTYDPIYJXQJIA-KUHUBIRLSA-N 1 1 451.308 3.810 20 5 JHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362703 1070361957 /nfs/dbraw/zinc/36/19/57/1070361957.db2.gz DSTYDPIYJXQJIA-KUHUBIRLSA-N 1 1 451.308 3.810 20 5 JHBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309767419 1070960196 /nfs/dbraw/zinc/96/01/96/1070960196.db2.gz KSXLGCKODAUBSZ-PBHICJAKSA-N 1 1 457.474 3.803 20 5 JHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309767419 1070960200 /nfs/dbraw/zinc/96/02/00/1070960200.db2.gz KSXLGCKODAUBSZ-PBHICJAKSA-N 1 1 457.474 3.803 20 5 JHBDMO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CC=CCC1 ZINC001314749876 1071000867 /nfs/dbraw/zinc/00/08/67/1071000867.db2.gz QFHFIMDONFHDKV-UHFFFAOYSA-N 1 1 486.374 3.842 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2nc(C)no2)CC1)C(C)C ZINC001313805681 1071221305 /nfs/dbraw/zinc/22/13/05/1071221305.db2.gz NPBJLWGVEWXFFR-UHFFFAOYSA-N 1 1 468.562 3.659 20 5 JHBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC001310469586 1071411210 /nfs/dbraw/zinc/41/12/10/1071411210.db2.gz DRNIAXFNWFADHC-HNNXBMFYSA-N 1 1 451.449 3.946 20 5 JHBDMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001313933161 1071597284 /nfs/dbraw/zinc/59/72/84/1071597284.db2.gz YEEDITZXJJJOJD-FQEVSTJZSA-N 1 1 483.661 3.970 20 5 JHBDMO CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC[N@H+](CC)C2)s1 ZINC001305995101 1068357375 /nfs/dbraw/zinc/35/73/75/1068357375.db2.gz HYBFRYHDQHLMOZ-INIZCTEOSA-N 1 1 455.588 3.850 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001306318693 1068742807 /nfs/dbraw/zinc/74/28/07/1068742807.db2.gz PGTMFESBNJTWQO-HXUWFJFHSA-N 1 1 455.607 3.901 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001306321868 1068752335 /nfs/dbraw/zinc/75/23/35/1068752335.db2.gz FBVMTKYJDKUZKQ-JOCHJYFZSA-N 1 1 480.617 3.949 20 5 JHBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC[N@H+](C2CCC2)C1 ZINC001310711813 1069127412 /nfs/dbraw/zinc/12/74/12/1069127412.db2.gz SMTOPCSRMWEGQM-LBPRGKRZSA-N 1 1 458.300 3.538 20 5 JHBDMO CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCSC2)CC[N@H+]1CCOC ZINC001306616191 1069297733 /nfs/dbraw/zinc/29/77/33/1069297733.db2.gz FMXXUSZEQOLFQH-NQIIRXRSSA-N 1 1 474.631 3.544 20 5 JHBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])CC2 ZINC001164683533 719720911 /nfs/dbraw/zinc/72/09/11/719720911.db2.gz AKRMRSMRSFKDIZ-UHFFFAOYSA-N 1 1 477.924 3.755 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164841042 720649140 /nfs/dbraw/zinc/64/91/40/720649140.db2.gz OSPZKAIVFCIRCE-IEZWGBDMSA-N 1 1 455.950 3.766 20 5 JHBDMO O=[N+]([O-])c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752702 720898601 /nfs/dbraw/zinc/89/86/01/720898601.db2.gz FQIZDYFHJWZACF-NLFFAJNJSA-N 1 1 462.554 3.621 20 5 JHBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164752061 720930272 /nfs/dbraw/zinc/93/02/72/720930272.db2.gz NALKBMCJULMNMX-HFZDXXHNSA-N 1 1 474.565 3.688 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C2)C1 ZINC001164785306 721365212 /nfs/dbraw/zinc/36/52/12/721365212.db2.gz UIEFGPZYRJYZJW-VWLOTQADSA-N 1 1 478.553 3.776 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C2)C1 ZINC001164785306 721365221 /nfs/dbraw/zinc/36/52/21/721365221.db2.gz UIEFGPZYRJYZJW-VWLOTQADSA-N 1 1 478.553 3.776 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164784051 721372204 /nfs/dbraw/zinc/37/22/04/721372204.db2.gz QFEODZISMZMWCZ-VWLOTQADSA-N 1 1 496.543 3.915 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164784051 721372206 /nfs/dbraw/zinc/37/22/06/721372206.db2.gz QFEODZISMZMWCZ-VWLOTQADSA-N 1 1 496.543 3.915 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164789466 721455086 /nfs/dbraw/zinc/45/50/86/721455086.db2.gz WNUWMRPWIULFNB-IBGZPJMESA-N 1 1 490.004 3.925 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2 ZINC001164786383 721455683 /nfs/dbraw/zinc/45/56/83/721455683.db2.gz MGZOBQWCDIQQKM-GOSISDBHSA-N 1 1 452.983 3.686 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164790111 721466896 /nfs/dbraw/zinc/46/68/96/721466896.db2.gz QZZDYBJYWIHNEL-HSZRJFAPSA-N 1 1 481.597 3.786 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908564 721554569 /nfs/dbraw/zinc/55/45/69/721554569.db2.gz QIQTWOZVRDENOH-WCQYABFASA-N 1 1 461.803 3.538 20 5 JHBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936257 721889429 /nfs/dbraw/zinc/88/94/29/721889429.db2.gz YWEMUWPIZXZBIF-DHIUTWEWSA-N 1 1 461.566 3.937 20 5 JHBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936257 721889431 /nfs/dbraw/zinc/88/94/31/721889431.db2.gz YWEMUWPIZXZBIF-DHIUTWEWSA-N 1 1 461.566 3.937 20 5 JHBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(/C=C\N(C)C)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164939029 721930394 /nfs/dbraw/zinc/93/03/94/721930394.db2.gz HKOGPECFXQJFEA-FLIBITNWSA-N 1 1 451.571 3.702 20 5 JHBDMO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001311547989 1069433505 /nfs/dbraw/zinc/43/35/05/1069433505.db2.gz IMBFJWGRGPSJGO-KRWDZBQOSA-N 1 1 451.449 3.599 20 5 JHBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001306779006 1069575102 /nfs/dbraw/zinc/57/51/02/1069575102.db2.gz CVXLAQFZSNPYRC-DFBJGRDBSA-N 1 1 470.618 3.963 20 5 JHBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001312153751 1069752573 /nfs/dbraw/zinc/75/25/73/1069752573.db2.gz QHPHCKXYEUGQBN-UHFFFAOYSA-N 1 1 459.978 3.692 20 5 JHBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001307054954 1069818661 /nfs/dbraw/zinc/81/86/61/1069818661.db2.gz MLRBBIPVIAQWNI-OALUTQOASA-N 1 1 482.507 3.885 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001307503453 1070021459 /nfs/dbraw/zinc/02/14/59/1070021459.db2.gz OJTIXILKZDYCLK-HNNXBMFYSA-N 1 1 455.437 3.658 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001307503453 1070021473 /nfs/dbraw/zinc/02/14/73/1070021473.db2.gz OJTIXILKZDYCLK-HNNXBMFYSA-N 1 1 455.437 3.658 20 5 JHBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC001307555459 1070050528 /nfs/dbraw/zinc/05/05/28/1070050528.db2.gz BREZGGLFMPIUJV-SFHVURJKSA-N 1 1 450.495 3.872 20 5 JHBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@H]12 ZINC001307576689 1070061604 /nfs/dbraw/zinc/06/16/04/1070061604.db2.gz OCANYOZOGURLTQ-AFOWIFMISA-N 1 1 456.587 3.668 20 5 JHBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001312826216 1070144811 /nfs/dbraw/zinc/14/48/11/1070144811.db2.gz ZJJZZVBPWCIAEY-JOCHJYFZSA-N 1 1 451.571 3.729 20 5 JHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001307749350 1070164748 /nfs/dbraw/zinc/16/47/48/1070164748.db2.gz NHUDWZZADFCFCD-MRXNPFEDSA-N 1 1 450.536 3.701 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001307810702 1070193958 /nfs/dbraw/zinc/19/39/58/1070193958.db2.gz MGTUXZAIQCFKHR-DYESRHJHSA-N 1 1 456.930 3.872 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001307810702 1070193964 /nfs/dbraw/zinc/19/39/64/1070193964.db2.gz MGTUXZAIQCFKHR-DYESRHJHSA-N 1 1 456.930 3.872 20 5 JHBDMO CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307872203 1070218073 /nfs/dbraw/zinc/21/80/73/1070218073.db2.gz OGPCATOHBGHUBA-INIZCTEOSA-N 1 1 456.362 3.719 20 5 JHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)O1 ZINC001308031686 1070286667 /nfs/dbraw/zinc/28/66/67/1070286667.db2.gz ORUUVNBRATUSNW-HXOBKFHXSA-N 1 1 458.946 3.552 20 5 JHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001308031804 1070287655 /nfs/dbraw/zinc/28/76/55/1070287655.db2.gz RMHSUMQWKZNRPJ-CPJSRVTESA-N 1 1 452.555 3.597 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC001308126656 1070323452 /nfs/dbraw/zinc/32/34/52/1070323452.db2.gz XYTUGGDXLYXQCE-UYAOXDASSA-N 1 1 458.902 3.748 20 5 JHBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001313447513 1070367812 /nfs/dbraw/zinc/36/78/12/1070367812.db2.gz KJZPOXKKJSHXLP-VXKWHMMOSA-N 1 1 456.591 3.979 20 5 JHBDMO COC(=O)COc1ccc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC001308519604 1070384796 /nfs/dbraw/zinc/38/47/96/1070384796.db2.gz UPIKCZGVONWVKX-OAHLLOKOSA-N 1 1 451.273 3.523 20 5 JHBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309246668 1070641716 /nfs/dbraw/zinc/64/17/16/1070641716.db2.gz MGQXPEWUQDDQAV-MRXNPFEDSA-N 1 1 455.939 3.920 20 5 JHBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001309260286 1070652333 /nfs/dbraw/zinc/65/23/33/1070652333.db2.gz CNADHBCAKPRBLS-PBHICJAKSA-N 1 1 457.474 3.945 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)OC)CC1)CCC(F)(F)F ZINC001313804607 1071215949 /nfs/dbraw/zinc/21/59/49/1071215949.db2.gz CNEAAKIRLGBSEU-UHFFFAOYSA-N 1 1 498.506 3.517 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC001313806780 1071225868 /nfs/dbraw/zinc/22/58/68/1071225868.db2.gz YCNDCJQZWUHXOM-SFHVURJKSA-N 1 1 499.616 3.783 20 5 JHBDMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001310469650 1071411310 /nfs/dbraw/zinc/41/13/10/1071411310.db2.gz GFYGWWHHEJAFAA-UHFFFAOYSA-N 1 1 455.412 3.696 20 5 JHBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313934004 1071600487 /nfs/dbraw/zinc/60/04/87/1071600487.db2.gz RBKCTTZLAUWRAD-ROUUACIJSA-N 1 1 487.605 3.545 20 5 JHBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])CC2 ZINC001164718037 720121165 /nfs/dbraw/zinc/12/11/65/720121165.db2.gz QOUMJYDEMVBNDL-MRXNPFEDSA-N 1 1 479.006 3.663 20 5 JHBDMO COc1cc2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1[N+](=O)[O-] ZINC001164843369 720691737 /nfs/dbraw/zinc/69/17/37/720691737.db2.gz OVYYKTVBUWKPJF-LJQANCHMSA-N 1 1 463.538 3.807 20 5 JHBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740138 720698251 /nfs/dbraw/zinc/69/82/51/720698251.db2.gz QHSQVIRUQOZKDV-GDBMZVCRSA-N 1 1 486.891 3.707 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)ccc1Cl ZINC001164744816 720854887 /nfs/dbraw/zinc/85/48/87/720854887.db2.gz CKFOMFUWJUZZHL-XQBPLPMBSA-N 1 1 494.987 3.676 20 5 JHBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755467 720871730 /nfs/dbraw/zinc/87/17/30/720871730.db2.gz XJZXILJPDWNYBF-XXBNENTESA-N 1 1 457.962 3.793 20 5 JHBDMO O=[N+]([O-])c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752688 720898653 /nfs/dbraw/zinc/89/86/53/720898653.db2.gz FQIZDYFHJWZACF-CJFMBICVSA-N 1 1 462.554 3.621 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001164779737 721345132 /nfs/dbraw/zinc/34/51/32/721345132.db2.gz VEJMPADMFJPLLS-DEOSSOPVSA-N 1 1 451.527 3.867 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)CC2 ZINC001164791190 721468478 /nfs/dbraw/zinc/46/84/78/721468478.db2.gz VCZZPXDDGNFJKX-HXUWFJFHSA-N 1 1 462.591 3.511 20 5 JHBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939624 721922101 /nfs/dbraw/zinc/92/21/01/721922101.db2.gz VVUVZKFRUWVCMU-UHFFFAOYSA-N 1 1 463.991 3.940 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961564 722060117 /nfs/dbraw/zinc/06/01/17/722060117.db2.gz LZVJRNOQZMHHIH-UHFFFAOYSA-N 1 1 486.882 3.571 20 5 JHBDMO CCc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978038 722147309 /nfs/dbraw/zinc/14/73/09/722147309.db2.gz JIJHOWQTVIOVMP-ZJSXRUAMSA-N 1 1 474.565 3.737 20 5 JHBDMO 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5 JHBDMO CCC[N@@H+](CC)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001306802726 1069610306 /nfs/dbraw/zinc/61/03/06/1069610306.db2.gz OVZMCLSSVNZPBS-QFIPXVFZSA-N 1 1 481.605 3.635 20 5 JHBDMO CCC[N@@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001306804553 1069614371 /nfs/dbraw/zinc/61/43/71/1069614371.db2.gz KJBBVEATUCAHHJ-UHFFFAOYSA-N 1 1 478.601 3.615 20 5 JHBDMO COc1ccc(C[N@H+]2CCCN(C(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001312057800 1069697541 /nfs/dbraw/zinc/69/75/41/1069697541.db2.gz HONNFYZUVVZDJW-UHFFFAOYSA-N 1 1 455.559 3.631 20 5 JHBDMO CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046997 1069787582 /nfs/dbraw/zinc/78/75/82/1069787582.db2.gz PRMPKQONTQSRPK-LJQANCHMSA-N 1 1 455.607 3.542 20 5 JHBDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001307597894 1070073281 /nfs/dbraw/zinc/07/32/81/1070073281.db2.gz RIBLKQXPNNBVJI-AWEZNQCLSA-N 1 1 455.300 3.751 20 5 JHBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001307597894 1070073297 /nfs/dbraw/zinc/07/32/97/1070073297.db2.gz RIBLKQXPNNBVJI-AWEZNQCLSA-N 1 1 455.300 3.751 20 5 JHBDMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)cc2)C[C@H](C)O1 ZINC001307884437 1070224193 /nfs/dbraw/zinc/22/41/93/1070224193.db2.gz GLLCVRQYYUKWHJ-HDICACEKSA-N 1 1 451.527 3.886 20 5 JHBDMO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001308106386 1070313296 /nfs/dbraw/zinc/31/32/96/1070313296.db2.gz QLLHWUWRVPDWQH-NRSPTQNISA-N 1 1 468.535 3.792 20 5 JHBDMO COc1ccc(-c2ccc(CNc3cccc(C[N@H+]4CCC[C@H]4C(N)=O)c3)o2)c([N+](=O)[O-])c1 ZINC001308325079 1070356654 /nfs/dbraw/zinc/35/66/54/1070356654.db2.gz TYEWXKMXMCAZTD-NRFANRHFSA-N 1 1 450.495 3.925 20 5 JHBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001308824616 1070443525 /nfs/dbraw/zinc/44/35/25/1070443525.db2.gz IHWCZTKLHDWXCH-UHFFFAOYSA-N 1 1 459.499 3.937 20 5 JHBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001308824616 1070443533 /nfs/dbraw/zinc/44/35/33/1070443533.db2.gz IHWCZTKLHDWXCH-UHFFFAOYSA-N 1 1 459.499 3.937 20 5 JHBDMO CN(CC1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314815353 1071121020 /nfs/dbraw/zinc/12/10/20/1071121020.db2.gz KLQFIHXGWUKCHS-NRFANRHFSA-N 1 1 456.591 3.837 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nc(C)cs2)CC1)C(C)C ZINC001313806280 1071223573 /nfs/dbraw/zinc/22/35/73/1071223573.db2.gz UAXUXSVGHPNZPI-UHFFFAOYSA-N 1 1 484.630 3.675 20 5 JHBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@H]1C ZINC001313860403 1071368440 /nfs/dbraw/zinc/36/84/40/1071368440.db2.gz KKWNKDLGLMFMSY-RTBURBONSA-N 1 1 456.591 3.979 20 5 JHBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@@H]1C ZINC001313860401 1071369046 /nfs/dbraw/zinc/36/90/46/1071369046.db2.gz KKWNKDLGLMFMSY-RBUKOAKNSA-N 1 1 456.591 3.979 20 5 JHBDMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313892327 1071486868 /nfs/dbraw/zinc/48/68/68/1071486868.db2.gz XWCXKMCVZUAQFV-UYAOXDASSA-N 1 1 499.616 3.689 20 5 JHBDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313907654 1071528701 /nfs/dbraw/zinc/52/87/01/1071528701.db2.gz JKWWCOSLAZGZSF-REWPJTCUSA-N 1 1 497.644 3.716 20 5 JHBDMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313910304 1071535259 /nfs/dbraw/zinc/53/52/59/1071535259.db2.gz FSQLSEKCMRSCOU-UNMCSNQZSA-N 1 1 456.591 3.980 20 5 JHBDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313922526 1071565133 /nfs/dbraw/zinc/56/51/33/1071565133.db2.gz WXEWGZCFSTYQCB-OTWHNJEPSA-N 1 1 491.587 3.607 20 5 JHBDMO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001306320849 1068750558 /nfs/dbraw/zinc/75/05/58/1068750558.db2.gz XVRFSLQTDZCSPW-PZJWPPBQSA-N 1 1 455.607 3.648 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001306320849 1068750560 /nfs/dbraw/zinc/75/05/60/1068750560.db2.gz XVRFSLQTDZCSPW-PZJWPPBQSA-N 1 1 455.607 3.648 20 5 JHBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2csc(C)c2)CC[N@H+]1CCOC ZINC001306406772 1068878598 /nfs/dbraw/zinc/87/85/98/1068878598.db2.gz OJWFSFHGHPVEHR-FQEVSTJZSA-N 1 1 470.599 3.819 20 5 JHBDMO CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(F)(F)C2)CC[N@H+]1CCOC ZINC001306618462 1069301651 /nfs/dbraw/zinc/30/16/51/1069301651.db2.gz SFXWYPALKOXHCW-FQEVSTJZSA-N 1 1 478.544 3.836 20 5 JHBDMO CCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164816798 720181248 /nfs/dbraw/zinc/18/12/48/720181248.db2.gz MUBWIJNBGGGPIQ-CJFMBICVSA-N 1 1 451.571 3.799 20 5 JHBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841040 720650624 /nfs/dbraw/zinc/65/06/24/720650624.db2.gz OSPZKAIVFCIRCE-HHXXYDBFSA-N 1 1 455.950 3.766 20 5 JHBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1-c1ccc(F)cc1 ZINC001164748726 720859373 /nfs/dbraw/zinc/85/93/73/720859373.db2.gz LVWNJCAVQBEFIL-CEMLEFRQSA-N 1 1 477.544 3.767 20 5 JHBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753475 720871781 /nfs/dbraw/zinc/87/17/81/720871781.db2.gz PNUPDJXBYOZQAP-AUSIDOKSSA-N 1 1 457.962 3.793 20 5 JHBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164752992 720875479 /nfs/dbraw/zinc/87/54/79/720875479.db2.gz OCSIHNAZPRJCMM-QFQXNSOFSA-N 1 1 474.565 3.688 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)ccc1Cl ZINC001164874505 721172151 /nfs/dbraw/zinc/17/21/51/721172151.db2.gz KEFUJTMAWDGNHJ-OALUTQOASA-N 1 1 466.929 3.580 20 5 JHBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1 ZINC001164960009 722060890 /nfs/dbraw/zinc/06/08/90/722060890.db2.gz CNVDFANMXVROIJ-UHFFFAOYSA-N 1 1 460.538 3.566 20 5 JHBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971212 722155312 /nfs/dbraw/zinc/15/53/12/722155312.db2.gz BCRSDJVNFPFCHF-GCJKJVERSA-N 1 1 453.930 3.919 20 5 JHBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4ccc5ccc(Cl)nc5c4n2)CC3)CC1 ZINC001164997753 722233739 /nfs/dbraw/zinc/23/37/39/722233739.db2.gz VHZBOJDPXDRFBI-UHFFFAOYSA-N 1 1 459.985 3.583 20 5 JHBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001306682723 1069414526 /nfs/dbraw/zinc/41/45/26/1069414526.db2.gz MURQUAHKOMZGSM-UHFFFAOYSA-N 1 1 466.590 3.703 20 5 JHBDMO Cc1ccc([C@H](C)NC(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001311630109 1069478807 /nfs/dbraw/zinc/47/88/07/1069478807.db2.gz LQUIHNLSMMVARU-NRFANRHFSA-N 1 1 453.587 3.861 20 5 JHBDMO CCC[N@@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001306803205 1069611389 /nfs/dbraw/zinc/61/13/89/1069611389.db2.gz WREMRVVTORYNAS-UHFFFAOYSA-N 1 1 457.623 3.833 20 5 JHBDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@](C)(OC)CC2)C1 ZINC001307033761 1069748441 /nfs/dbraw/zinc/74/84/41/1069748441.db2.gz MEOXZHYYNPCNJB-DVECYGJZSA-N 1 1 456.591 3.981 20 5 JHBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001307054955 1069819721 /nfs/dbraw/zinc/81/97/21/1069819721.db2.gz MLRBBIPVIAQWNI-RBUKOAKNSA-N 1 1 482.507 3.885 20 5 JHBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001307057083 1069831591 /nfs/dbraw/zinc/83/15/91/1069831591.db2.gz VKGMNXCLLUYVGP-RBBKRZOGSA-N 1 1 483.617 3.613 20 5 JHBDMO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 ZINC001307078246 1069887497 /nfs/dbraw/zinc/88/74/97/1069887497.db2.gz ZEXPSAJBGFYHTB-SFHVURJKSA-N 1 1 455.483 3.849 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001307503454 1070020672 /nfs/dbraw/zinc/02/06/72/1070020672.db2.gz OJTIXILKZDYCLK-OAHLLOKOSA-N 1 1 455.437 3.658 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001307503454 1070020686 /nfs/dbraw/zinc/02/06/86/1070020686.db2.gz OJTIXILKZDYCLK-OAHLLOKOSA-N 1 1 455.437 3.658 20 5 JHBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001307516761 1070029942 /nfs/dbraw/zinc/02/99/42/1070029942.db2.gz KMWNBIILBVCYIW-SFHVURJKSA-N 1 1 451.308 3.906 20 5 JHBDMO C[C@@H]1[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001308425409 1070373770 /nfs/dbraw/zinc/37/37/70/1070373770.db2.gz HYQSCCCYAJKVCB-KUHUBIRLSA-N 1 1 451.308 3.952 20 5 JHBDMO C[C@@H]1[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001308425409 1070373783 /nfs/dbraw/zinc/37/37/83/1070373783.db2.gz HYQSCCCYAJKVCB-KUHUBIRLSA-N 1 1 451.308 3.952 20 5 JHBDMO COC(=O)COc1ccc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001308538852 1070386679 /nfs/dbraw/zinc/38/66/79/1070386679.db2.gz ASRDUYWYUPBCSB-BJKOFHAPSA-N 1 1 475.545 3.904 20 5 JHBDMO COC(=O)COc1ccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001308538852 1070386695 /nfs/dbraw/zinc/38/66/95/1070386695.db2.gz ASRDUYWYUPBCSB-BJKOFHAPSA-N 1 1 475.545 3.904 20 5 JHBDMO C[C@@H]1C[C@@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@H+]1Cc1ccccc1 ZINC001309322343 1070697408 /nfs/dbraw/zinc/69/74/08/1070697408.db2.gz NCTMWRAJEZTRSX-GDBMZVCRSA-N 1 1 455.939 3.966 20 5 JHBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccsc1 ZINC001314713361 1070900731 /nfs/dbraw/zinc/90/07/31/1070900731.db2.gz HFHDKSHQPFENCO-UHFFFAOYSA-N 1 1 484.626 3.952 20 5 JHBDMO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001313750250 1071081659 /nfs/dbraw/zinc/08/16/59/1071081659.db2.gz CDKAJGMAAPZAEQ-NRFANRHFSA-N 1 1 466.590 3.734 20 5 JHBDMO CCn1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@H]2C)cn1 ZINC001313837696 1071320039 /nfs/dbraw/zinc/32/00/39/1071320039.db2.gz ZAODQNCOZORLGV-LJQANCHMSA-N 1 1 466.590 3.971 20 5 JHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)C1CCCC1 ZINC001313921323 1071561364 /nfs/dbraw/zinc/56/13/64/1071561364.db2.gz PRNJZVPEYWFWMB-LJQANCHMSA-N 1 1 455.607 3.648 20 5 JHBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313933226 1071597850 /nfs/dbraw/zinc/59/78/50/1071597850.db2.gz NUMQFCPYXWZTHF-KRWDZBQOSA-N 1 1 483.573 3.735 20 5 JHBDMO CC[C@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001306318689 1068742851 /nfs/dbraw/zinc/74/28/51/1068742851.db2.gz PGTMFESBNJTWQO-FQEVSTJZSA-N 1 1 455.607 3.901 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707894 719898317 /nfs/dbraw/zinc/89/83/17/719898317.db2.gz YKLXKUGQLZHKDH-UHFFFAOYSA-N 1 1 477.896 3.990 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707894 719898318 /nfs/dbraw/zinc/89/83/18/719898318.db2.gz YKLXKUGQLZHKDH-UHFFFAOYSA-N 1 1 477.896 3.990 20 5 JHBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164734503 720462360 /nfs/dbraw/zinc/46/23/60/720462360.db2.gz SXDSRUQEAGIXOZ-RTBURBONSA-N 1 1 490.593 3.709 20 5 JHBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838579 720525216 /nfs/dbraw/zinc/52/52/16/720525216.db2.gz RRQALQIVXWIOTA-RIFZZMRRSA-N 1 1 455.950 3.766 20 5 JHBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1-c1ccccc1 ZINC001164749319 720858340 /nfs/dbraw/zinc/85/83/40/720858340.db2.gz MZSBUHMFURYCHB-BHIFYINESA-N 1 1 459.554 3.628 20 5 JHBDMO O=[N+]([O-])c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752693 720898727 /nfs/dbraw/zinc/89/87/27/720898727.db2.gz FQIZDYFHJWZACF-CPJSRVTESA-N 1 1 462.554 3.621 20 5 JHBDMO CC(C)Oc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164746503 720918044 /nfs/dbraw/zinc/91/80/44/720918044.db2.gz BCPCRYWXRFOZLY-ATIYNZHBSA-N 1 1 481.597 3.927 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164780386 721375700 /nfs/dbraw/zinc/37/57/00/721375700.db2.gz GQDYHQAXGCEDLR-DEOSSOPVSA-N 1 1 451.527 3.867 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164783637 721458293 /nfs/dbraw/zinc/45/82/93/721458293.db2.gz DYBVEVONLKDJBL-NRFANRHFSA-N 1 1 454.571 3.877 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)n2)cc1[N+](=O)[O-] ZINC001164932303 721880301 /nfs/dbraw/zinc/88/03/01/721880301.db2.gz IMHFQXDOZSIWFR-OALUTQOASA-N 1 1 452.584 3.790 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC001164932303 721880302 /nfs/dbraw/zinc/88/03/02/721880302.db2.gz IMHFQXDOZSIWFR-OALUTQOASA-N 1 1 452.584 3.790 20 5 JHBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982684 722111615 /nfs/dbraw/zinc/11/16/15/722111615.db2.gz XRYXEVLVHPMPLT-PXNSSMCTSA-N 1 1 453.930 3.919 20 5 JHBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971217 722155780 /nfs/dbraw/zinc/15/57/80/722155780.db2.gz BCRSDJVNFPFCHF-XMSQKQJNSA-N 1 1 453.930 3.919 20 5 JHBDMO Cc1ccc([C@@H](C)NC(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001311630110 1069478918 /nfs/dbraw/zinc/47/89/18/1069478918.db2.gz LQUIHNLSMMVARU-OAQYLSRUSA-N 1 1 453.587 3.861 20 5 JHBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001307058442 1069839693 /nfs/dbraw/zinc/83/96/93/1069839693.db2.gz NGDNOCXGEPVUMM-IFMALSPDSA-N 1 1 456.591 3.634 20 5 JHBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001307063744 1069863707 /nfs/dbraw/zinc/86/37/07/1069863707.db2.gz WIYPDHIHKHNPCH-LJQANCHMSA-N 1 1 450.547 3.544 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001307502810 1070021686 /nfs/dbraw/zinc/02/16/86/1070021686.db2.gz FCDPSTQEGNIRKB-HZPDHXFCSA-N 1 1 458.481 3.743 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001307502810 1070021702 /nfs/dbraw/zinc/02/17/02/1070021702.db2.gz FCDPSTQEGNIRKB-HZPDHXFCSA-N 1 1 458.481 3.743 20 5 JHBDMO COc1cc(N[C@@H]2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc(OC)c1 ZINC001307543912 1070043308 /nfs/dbraw/zinc/04/33/08/1070043308.db2.gz QQWDIYCQPYSISK-MRXNPFEDSA-N 1 1 458.515 3.526 20 5 JHBDMO O=C(NCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)OCc1ccccc1 ZINC001307729186 1070153129 /nfs/dbraw/zinc/15/31/29/1070153129.db2.gz CZVXLGDGSCJFKG-UHFFFAOYSA-N 1 1 451.483 3.783 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001307877751 1070220626 /nfs/dbraw/zinc/22/06/26/1070220626.db2.gz PANZFCPGQGAVAK-VQTJNVASSA-N 1 1 469.538 3.989 20 5 JHBDMO Cc1c(NC(=O)[C@H](C)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC001307885366 1070224652 /nfs/dbraw/zinc/22/46/52/1070224652.db2.gz OGRQBLHOOYXEAP-NSHGMRRFSA-N 1 1 454.571 3.971 20 5 JHBDMO COC(=O)COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC001308559750 1070389385 /nfs/dbraw/zinc/38/93/85/1070389385.db2.gz AXRMRLVKICLPDX-VWLOTQADSA-N 1 1 453.539 3.635 20 5 JHBDMO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001309364525 1070726093 /nfs/dbraw/zinc/72/60/93/1070726093.db2.gz ZPELLKGNSKLUTI-OXQOHEQNSA-N 1 1 455.939 3.542 20 5 JHBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001309364525 1070726106 /nfs/dbraw/zinc/72/61/06/1070726106.db2.gz ZPELLKGNSKLUTI-OXQOHEQNSA-N 1 1 455.939 3.542 20 5 JHBDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC001309815573 1070980606 /nfs/dbraw/zinc/98/06/06/1070980606.db2.gz QEJFCDPEDJRZRC-IBGZPJMESA-N 1 1 454.552 3.818 20 5 JHBDMO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001313750611 1071083474 /nfs/dbraw/zinc/08/34/74/1071083474.db2.gz OYXQVCWVTMBKDE-UHFFFAOYSA-N 1 1 466.590 3.735 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC)C1)CCC(F)(F)F ZINC001313806789 1071225968 /nfs/dbraw/zinc/22/59/68/1071225968.db2.gz YKQWYGKTMHMYTL-SFHVURJKSA-N 1 1 470.496 3.743 20 5 JHBDMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001313893012 1071489278 /nfs/dbraw/zinc/48/92/78/1071489278.db2.gz BHXISHFFDSTKMQ-FQEVSTJZSA-N 1 1 454.600 3.859 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001306325395 1068762460 /nfs/dbraw/zinc/76/24/60/1068762460.db2.gz XTXJFGWEHAADJA-LEWJYISDSA-N 1 1 456.591 3.634 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC001164838359 720607273 /nfs/dbraw/zinc/60/72/73/720607273.db2.gz KUBKSEBRFODJCH-IHRRRGAJSA-N 1 1 473.887 3.631 20 5 JHBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841045 720649075 /nfs/dbraw/zinc/64/90/75/720649075.db2.gz OSPZKAIVFCIRCE-VDZJLULYSA-N 1 1 455.950 3.766 20 5 JHBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746012 720859065 /nfs/dbraw/zinc/85/90/65/720859065.db2.gz FEGCQFMHSGEXQS-QWFCFKBJSA-N 1 1 467.961 3.767 20 5 JHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756609 720886154 /nfs/dbraw/zinc/88/61/54/720886154.db2.gz QXWWHVHCBRGNBA-QFQXNSOFSA-N 1 1 474.565 3.688 20 5 JHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756608 720886474 /nfs/dbraw/zinc/88/64/74/720886474.db2.gz QXWWHVHCBRGNBA-LVXARBLLSA-N 1 1 474.565 3.688 20 5 JHBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164752069 720931739 /nfs/dbraw/zinc/93/17/39/720931739.db2.gz NALKBMCJULMNMX-RLWLMLJZSA-N 1 1 474.565 3.688 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001164780081 721347482 /nfs/dbraw/zinc/34/74/82/721347482.db2.gz ZKGDURRTKLVURF-XMMPIXPASA-N 1 1 451.527 3.867 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164782300 721362975 /nfs/dbraw/zinc/36/29/75/721362975.db2.gz MRUVIURAWWTEMV-XMMPIXPASA-N 1 1 451.527 3.867 20 5 JHBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164888795 721405169 /nfs/dbraw/zinc/40/51/69/721405169.db2.gz OQVQYTVESCYSAA-GAJHUEQPSA-N 1 1 459.978 3.562 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164788701 721450772 /nfs/dbraw/zinc/45/07/72/721450772.db2.gz SQMQVWYVNOZIHB-SFHVURJKSA-N 1 1 488.963 3.922 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164788636 721454711 /nfs/dbraw/zinc/45/47/11/721454711.db2.gz RUJQHRGSGNEKQK-KRWDZBQOSA-N 1 1 488.963 3.922 20 5 JHBDMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164808866 721582123 /nfs/dbraw/zinc/58/21/23/721582123.db2.gz QZCHDAWSZRLCMD-WPFOTENUSA-N 1 1 460.538 3.623 20 5 JHBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@@H]2CCCO[C@@H]21 ZINC001164811937 721586626 /nfs/dbraw/zinc/58/66/26/721586626.db2.gz ZCPSYYFZSBADDA-BKULYWANSA-N 1 1 480.956 3.968 20 5 JHBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@@H]2CCCO[C@@H]21 ZINC001164811937 721586629 /nfs/dbraw/zinc/58/66/29/721586629.db2.gz ZCPSYYFZSBADDA-BKULYWANSA-N 1 1 480.956 3.968 20 5 JHBDMO COc1cc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1[N+](=O)[O-] ZINC001164907421 721704727 /nfs/dbraw/zinc/70/47/27/721704727.db2.gz RTLWCPPPPWXIKB-QFIPXVFZSA-N 1 1 470.480 3.679 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025915 721802341 /nfs/dbraw/zinc/80/23/41/721802341.db2.gz PVOQJWWMDQYCJM-IPELMVKDSA-N 1 1 473.961 3.952 20 5 JHBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164960662 722059549 /nfs/dbraw/zinc/05/95/49/722059549.db2.gz GJZVXNVXKNQZSR-UHFFFAOYSA-N 1 1 460.538 3.566 20 5 JHBDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001306728603 1069476132 /nfs/dbraw/zinc/47/61/32/1069476132.db2.gz URZYDQKVPQWUOR-JOCHJYFZSA-N 1 1 455.607 3.730 20 5 JHBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001306779005 1069574938 /nfs/dbraw/zinc/57/49/38/1069574938.db2.gz CVXLAQFZSNPYRC-CLOONOSVSA-N 1 1 470.618 3.963 20 5 JHBDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312063240 1069699780 /nfs/dbraw/zinc/69/97/80/1069699780.db2.gz IXEZIKFLKURQRV-IRLDBZIGSA-N 1 1 451.571 3.695 20 5 JHBDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@](C)(OC)CC2)C1 ZINC001307033765 1069748332 /nfs/dbraw/zinc/74/83/32/1069748332.db2.gz MEOXZHYYNPCNJB-YADARESESA-N 1 1 456.591 3.981 20 5 JHBDMO O=c1c2c(ncn1Cc1cccc([N+](=O)[O-])c1Br)C[N@@H+](Cc1ccccc1)CC2 ZINC001307328097 1069950512 /nfs/dbraw/zinc/95/05/12/1069950512.db2.gz ZHGVDIFPVBWFEW-UHFFFAOYSA-N 1 1 455.312 3.521 20 5 JHBDMO O=c1c2c(ncn1Cc1cccc([N+](=O)[O-])c1Br)C[N@H+](Cc1ccccc1)CC2 ZINC001307328097 1069950521 /nfs/dbraw/zinc/95/05/21/1069950521.db2.gz ZHGVDIFPVBWFEW-UHFFFAOYSA-N 1 1 455.312 3.521 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001307524852 1070034013 /nfs/dbraw/zinc/03/40/13/1070034013.db2.gz ORPRNWOUHPEHJE-REWPJTCUSA-N 1 1 452.555 3.919 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001307524852 1070034029 /nfs/dbraw/zinc/03/40/29/1070034029.db2.gz ORPRNWOUHPEHJE-REWPJTCUSA-N 1 1 452.555 3.919 20 5 JHBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307648925 1070100965 /nfs/dbraw/zinc/10/09/65/1070100965.db2.gz CPDHRCQXMHHYQZ-NVXWUHKLSA-N 1 1 450.536 3.557 20 5 JHBDMO CCOc1ccc(NC(=O)CN2CC[N@H+](Cc3ccccc3OCC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001307714597 1070141619 /nfs/dbraw/zinc/14/16/19/1070141619.db2.gz IEKWGLDXGUXQIU-SFHVURJKSA-N 1 1 456.543 3.537 20 5 JHBDMO CCOc1ccc(NC(=O)CN2CC[N@@H+](Cc3ccccc3OCC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001307714597 1070141622 /nfs/dbraw/zinc/14/16/22/1070141622.db2.gz IEKWGLDXGUXQIU-SFHVURJKSA-N 1 1 456.543 3.537 20 5 JHBDMO Cn1cc(-c2ccnc(C3CC[NH+](Cc4c(Br)cccc4[N+](=O)[O-])CC3)n2)cn1 ZINC001307967776 1070262360 /nfs/dbraw/zinc/26/23/60/1070262360.db2.gz DFKITVOIKKDHMX-UHFFFAOYSA-N 1 1 457.332 3.927 20 5 JHBDMO COc1ccc(NC(=O)[C@@H](C)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC001308009389 1070278252 /nfs/dbraw/zinc/27/82/52/1070278252.db2.gz RIBSTIKIALVZLZ-XYHYBEPMSA-N 1 1 452.555 3.774 20 5 JHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001308031806 1070287477 /nfs/dbraw/zinc/28/74/77/1070287477.db2.gz RMHSUMQWKZNRPJ-NLFFAJNJSA-N 1 1 452.555 3.597 20 5 JHBDMO COc1cc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC001308084583 1070307849 /nfs/dbraw/zinc/30/78/49/1070307849.db2.gz IJPZGIQSNZBQGO-YCRPNKLZSA-N 1 1 471.407 3.587 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC001308126654 1070323678 /nfs/dbraw/zinc/32/36/78/1070323678.db2.gz XYTUGGDXLYXQCE-QUCCMNQESA-N 1 1 458.902 3.748 20 5 JHBDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnc(C)s2)C[C@@H]1CC ZINC001314497815 1070421398 /nfs/dbraw/zinc/42/13/98/1070421398.db2.gz VULCFQUNZBVNPD-IBGZPJMESA-N 1 1 485.614 3.604 20 5 JHBDMO CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313696428 1070963355 /nfs/dbraw/zinc/96/33/55/1070963355.db2.gz GZFXQDYLGMSVDQ-OYRHEFFESA-N 1 1 499.660 3.663 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1)C(C)C ZINC001313806236 1071223764 /nfs/dbraw/zinc/22/37/64/1071223764.db2.gz SHAFTAFIKBFCFO-LJQANCHMSA-N 1 1 468.562 3.659 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC)C1)CCC(F)(F)F ZINC001313806788 1071225954 /nfs/dbraw/zinc/22/59/54/1071225954.db2.gz YKQWYGKTMHMYTL-GOSISDBHSA-N 1 1 470.496 3.743 20 5 JHBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@@H]1C ZINC001313859334 1071363549 /nfs/dbraw/zinc/36/35/49/1071363549.db2.gz FZZXEXDISZAMBM-DLBZAZTESA-N 1 1 455.588 3.862 20 5 JHBDMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2ccco2)N(C)C)C[C@H]1C ZINC001313860570 1071370883 /nfs/dbraw/zinc/37/08/83/1071370883.db2.gz MCOFHTBBDRXQMX-LQWHRVPQSA-N 1 1 467.574 3.668 20 5 JHBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2ccco2)N(C)C)C[C@H]1C ZINC001313860570 1071370896 /nfs/dbraw/zinc/37/08/96/1071370896.db2.gz MCOFHTBBDRXQMX-LQWHRVPQSA-N 1 1 467.574 3.668 20 5 JHBDMO C[N@H+]1CCN(CCn2c(CC(C)(C)C)nnc2N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1(C)C ZINC001314930530 1071373820 /nfs/dbraw/zinc/37/38/20/1071373820.db2.gz HHKYGPCJZWUVHP-UHFFFAOYSA-N 1 1 483.661 3.970 20 5 JHBDMO CN1CC[N@H+](CCn2c(CC(C)(C)C)nnc2N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1(C)C ZINC001314930530 1071373831 /nfs/dbraw/zinc/37/38/31/1071373831.db2.gz HHKYGPCJZWUVHP-UHFFFAOYSA-N 1 1 483.661 3.970 20 5 JHBDMO CN1CC[N@@H+](CCn2c(CC(C)(C)C)nnc2N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1(C)C ZINC001314930530 1071373843 /nfs/dbraw/zinc/37/38/43/1071373843.db2.gz HHKYGPCJZWUVHP-UHFFFAOYSA-N 1 1 483.661 3.970 20 5 JHBDMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313910301 1071534982 /nfs/dbraw/zinc/53/49/82/1071534982.db2.gz FSQLSEKCMRSCOU-IFMALSPDSA-N 1 1 456.591 3.980 20 5 JHBDMO CCN1CC[NH+]([C@H](C)Cn2c(C3CC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC001313925814 1071574756 /nfs/dbraw/zinc/57/47/56/1071574756.db2.gz AZBJGEMZVZCZNP-LJQANCHMSA-N 1 1 455.607 3.505 20 5 JHBDMO CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306043483 1068461446 /nfs/dbraw/zinc/46/14/46/1068461446.db2.gz QTCVZRDYIYYHPP-ROUUACIJSA-N 1 1 480.617 3.679 20 5 JHBDMO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001306320848 1068750474 /nfs/dbraw/zinc/75/04/74/1068750474.db2.gz XVRFSLQTDZCSPW-FPOVZHCZSA-N 1 1 455.607 3.648 20 5 JHBDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001306320848 1068750481 /nfs/dbraw/zinc/75/04/81/1068750481.db2.gz XVRFSLQTDZCSPW-FPOVZHCZSA-N 1 1 455.607 3.648 20 5 JHBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164818798 720188879 /nfs/dbraw/zinc/18/88/79/720188879.db2.gz UQTFSVKROBPTRT-WZONZLPQSA-N 1 1 457.962 3.890 20 5 JHBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753483 720871619 /nfs/dbraw/zinc/87/16/19/720871619.db2.gz PNUPDJXBYOZQAP-XXBNENTESA-N 1 1 457.962 3.793 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001164776197 721334046 /nfs/dbraw/zinc/33/40/46/721334046.db2.gz DEYCHAZHVGRQQK-FQEVSTJZSA-N 1 1 485.919 3.912 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001164776197 721334051 /nfs/dbraw/zinc/33/40/51/721334051.db2.gz DEYCHAZHVGRQQK-FQEVSTJZSA-N 1 1 485.919 3.912 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC001164783119 721358544 /nfs/dbraw/zinc/35/85/44/721358544.db2.gz PICIPUGNKGXWFT-DEOSSOPVSA-N 1 1 451.527 3.867 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC001164783119 721358553 /nfs/dbraw/zinc/35/85/53/721358553.db2.gz PICIPUGNKGXWFT-DEOSSOPVSA-N 1 1 451.527 3.867 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906257 721695863 /nfs/dbraw/zinc/69/58/63/721695863.db2.gz MQGIHMDNFJVAPV-KRWDZBQOSA-N 1 1 459.284 3.824 20 5 JHBDMO CN(C)/C=C\c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907386 721723717 /nfs/dbraw/zinc/72/37/17/721723717.db2.gz RJNZWMZVAYMEPB-RWKBYAJOSA-N 1 1 458.513 3.655 20 5 JHBDMO CCc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978036 722147517 /nfs/dbraw/zinc/14/75/17/722147517.db2.gz JIJHOWQTVIOVMP-XUZZJYLKSA-N 1 1 474.565 3.737 20 5 JHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@@H](O)CC3(O)CCCCC3)CC2)s1 ZINC001307416321 1069974186 /nfs/dbraw/zinc/97/41/86/1069974186.db2.gz GQRLBLMTCNRPKY-IBGZPJMESA-N 1 1 459.612 3.887 20 5 JHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C[C@@H](O)CC3(O)CCCCC3)CC2)s1 ZINC001307416321 1069974196 /nfs/dbraw/zinc/97/41/96/1069974196.db2.gz GQRLBLMTCNRPKY-IBGZPJMESA-N 1 1 459.612 3.887 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001307512297 1070027215 /nfs/dbraw/zinc/02/72/15/1070027215.db2.gz BNXYAXIBBRRKMT-VWLOTQADSA-N 1 1 452.555 3.920 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001307512297 1070027231 /nfs/dbraw/zinc/02/72/31/1070027231.db2.gz BNXYAXIBBRRKMT-VWLOTQADSA-N 1 1 452.555 3.920 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001307512297 1070027248 /nfs/dbraw/zinc/02/72/48/1070027248.db2.gz BNXYAXIBBRRKMT-VWLOTQADSA-N 1 1 452.555 3.920 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001307512297 1070027262 /nfs/dbraw/zinc/02/72/62/1070027262.db2.gz BNXYAXIBBRRKMT-VWLOTQADSA-N 1 1 452.555 3.920 20 5 JHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001307555431 1070050825 /nfs/dbraw/zinc/05/08/25/1070050825.db2.gz BDLHYFHPBQJMBL-SFHVURJKSA-N 1 1 450.495 3.872 20 5 JHBDMO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001307622941 1070085625 /nfs/dbraw/zinc/08/56/25/1070085625.db2.gz GYKIDAWEUZKRHP-VXGBXAGGSA-N 1 1 450.289 3.806 20 5 JHBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC001307716022 1070141700 /nfs/dbraw/zinc/14/17/00/1070141700.db2.gz QKKPCKFEIRWBKR-QFIPXVFZSA-N 1 1 450.511 3.786 20 5 JHBDMO O=C(CC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001307759306 1070171011 /nfs/dbraw/zinc/17/10/11/1070171011.db2.gz IPAKSEOIESEANW-LJQANCHMSA-N 1 1 456.518 3.666 20 5 JHBDMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@H](C)O1 ZINC001307886923 1070225801 /nfs/dbraw/zinc/22/58/01/1070225801.db2.gz YIWYCOHIMWTRLA-HDICACEKSA-N 1 1 451.527 3.886 20 5 JHBDMO COC1(c2noc(CC3CC[NH+]([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)CCCC1 ZINC001307948917 1070255031 /nfs/dbraw/zinc/25/50/31/1070255031.db2.gz KQNSHZHFEOTTIC-INIZCTEOSA-N 1 1 457.531 3.675 20 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20 5 JHBDMO COc1cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001308130626 1070324110 /nfs/dbraw/zinc/32/41/10/1070324110.db2.gz VQYASEUHXCIYGJ-UKRRQHHQSA-N 1 1 459.490 3.840 20 5 JHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308165805 1070333560 /nfs/dbraw/zinc/33/35/60/1070333560.db2.gz FVFWDJKXPIDRDE-UHFFFAOYSA-N 1 1 450.536 3.511 20 5 JHBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313446572 1070363529 /nfs/dbraw/zinc/36/35/29/1070363529.db2.gz COISZDJNCZBQHK-NRFANRHFSA-N 1 1 466.590 3.714 20 5 JHBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362702 1070361737 /nfs/dbraw/zinc/36/17/37/1070361737.db2.gz DSTYDPIYJXQJIA-IFXJQAMLSA-N 1 1 451.308 3.810 20 5 JHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362702 1070361753 /nfs/dbraw/zinc/36/17/53/1070361753.db2.gz DSTYDPIYJXQJIA-IFXJQAMLSA-N 1 1 451.308 3.810 20 5 JHBDMO C[C@H]1[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001308425407 1070373963 /nfs/dbraw/zinc/37/39/63/1070373963.db2.gz HYQSCCCYAJKVCB-IFXJQAMLSA-N 1 1 451.308 3.952 20 5 JHBDMO C[C@H]1[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001308425407 1070373983 /nfs/dbraw/zinc/37/39/83/1070373983.db2.gz HYQSCCCYAJKVCB-IFXJQAMLSA-N 1 1 451.308 3.952 20 5 JHBDMO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001309364526 1070725957 /nfs/dbraw/zinc/72/59/57/1070725957.db2.gz ZPELLKGNSKLUTI-UZLBHIALSA-N 1 1 455.939 3.542 20 5 JHBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001309364526 1070725966 /nfs/dbraw/zinc/72/59/66/1070725966.db2.gz ZPELLKGNSKLUTI-UZLBHIALSA-N 1 1 455.939 3.542 20 5 JHBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCCCC2)CC1 ZINC001313646475 1070807890 /nfs/dbraw/zinc/80/78/90/1070807890.db2.gz VFMOXBHBOYJFMZ-UHFFFAOYSA-N 1 1 497.644 3.814 20 5 JHBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCCCC2)CC1 ZINC001313646475 1070807923 /nfs/dbraw/zinc/80/79/23/1070807923.db2.gz VFMOXBHBOYJFMZ-UHFFFAOYSA-N 1 1 497.644 3.814 20 5 JHBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314830721 1071162232 /nfs/dbraw/zinc/16/22/32/1071162232.db2.gz YAVAGTBRNVZMBS-OAQYLSRUSA-N 1 1 470.618 3.881 20 5 JHBDMO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccncc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314835058 1071175942 /nfs/dbraw/zinc/17/59/42/1071175942.db2.gz YVUMPRJASMJGIO-QHCPKHFHSA-N 1 1 477.613 3.971 20 5 JHBDMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313892321 1071487048 /nfs/dbraw/zinc/48/70/48/1071487048.db2.gz XWCXKMCVZUAQFV-AZUAARDMSA-N 1 1 499.616 3.689 20 5 JHBDMO CC[NH+]1CCN(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313954476 1071651824 /nfs/dbraw/zinc/65/18/24/1071651824.db2.gz OLVDUAOFOCPRFG-UHFFFAOYSA-N 1 1 477.560 3.507 20 5 JHBDMO CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001306363617 1068799860 /nfs/dbraw/zinc/79/98/60/1068799860.db2.gz JKYUEBBOKDOWEP-UHFFFAOYSA-N 1 1 455.607 3.507 20 5 JHBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164734501 720462025 /nfs/dbraw/zinc/46/20/25/720462025.db2.gz SXDSRUQEAGIXOZ-RBUKOAKNSA-N 1 1 490.593 3.709 20 5 JHBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752188 720805273 /nfs/dbraw/zinc/80/52/73/720805273.db2.gz ZANKVTRRROOPPQ-YADHBBJMSA-N 1 1 498.543 3.854 20 5 JHBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164747514 720848596 /nfs/dbraw/zinc/84/85/96/720848596.db2.gz RAWSRVBSDMWMPA-YRISNDGFSA-N 1 1 467.961 3.767 20 5 JHBDMO CCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164744769 720851618 /nfs/dbraw/zinc/85/16/18/720851618.db2.gz CJTPPXSIQIAQQY-AGILITTLSA-N 1 1 488.596 3.585 20 5 JHBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164754491 720895777 /nfs/dbraw/zinc/89/57/77/720895777.db2.gz JCJZQYKRYYECLC-NBGIEHNGSA-N 1 1 462.554 3.621 20 5 JHBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164890782 721435859 /nfs/dbraw/zinc/43/58/59/721435859.db2.gz FSBCNRPVGLBOOD-MBSDFSHPSA-N 1 1 459.978 3.562 20 5 JHBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164889105 721451228 /nfs/dbraw/zinc/45/12/28/721451228.db2.gz NMPZPTPFGUWAAC-MBSDFSHPSA-N 1 1 459.978 3.562 20 5 JHBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164892074 721451278 /nfs/dbraw/zinc/45/12/78/721451278.db2.gz WOSFPJWIXUNTHO-SQJMNOBHSA-N 1 1 469.561 3.561 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164786533 721469457 /nfs/dbraw/zinc/46/94/57/721469457.db2.gz BOIOISFQEUWIRY-OAQYLSRUSA-N 1 1 481.597 3.786 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164788816 721473220 /nfs/dbraw/zinc/47/32/20/721473220.db2.gz LJGXLRBIIKMHSG-QFIPXVFZSA-N 1 1 454.571 3.877 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)ccc1F ZINC001164903502 721561969 /nfs/dbraw/zinc/56/19/69/721561969.db2.gz BOWYPXFRWCDTBJ-IEBWSBKVSA-N 1 1 453.449 3.672 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955672 722022166 /nfs/dbraw/zinc/02/21/66/722022166.db2.gz MSJFZOFQFCJZTM-UHFFFAOYSA-N 1 1 456.856 3.945 20 5 JHBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001306779007 1069574949 /nfs/dbraw/zinc/57/49/49/1069574949.db2.gz CVXLAQFZSNPYRC-KBMIEXCESA-N 1 1 470.618 3.963 20 5 JHBDMO CCC[N@@H+](CC)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(c2nccs2)CC1 ZINC001306802079 1069607453 /nfs/dbraw/zinc/60/74/53/1069607453.db2.gz FLYQIKCGLUHBFS-UHFFFAOYSA-N 1 1 484.630 3.758 20 5 JHBDMO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994011 1069695557 /nfs/dbraw/zinc/69/55/57/1069695557.db2.gz NYUBAYQJTAYCSK-RXVVDRJESA-N 1 1 458.584 3.933 20 5 JHBDMO CC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312218785 1069789796 /nfs/dbraw/zinc/78/97/96/1069789796.db2.gz PVWHCQGWDYRYSL-VWNXMTODSA-N 1 1 452.555 3.948 20 5 JHBDMO CC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312218785 1069789804 /nfs/dbraw/zinc/78/98/04/1069789804.db2.gz PVWHCQGWDYRYSL-VWNXMTODSA-N 1 1 452.555 3.948 20 5 JHBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001307054957 1069819398 /nfs/dbraw/zinc/81/93/98/1069819398.db2.gz MLRBBIPVIAQWNI-RTBURBONSA-N 1 1 482.507 3.885 20 5 JHBDMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001307210358 1069907829 /nfs/dbraw/zinc/90/78/29/1069907829.db2.gz ITGKKMDPCFWMAZ-CALCHBBNSA-N 1 1 451.955 3.696 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001307502809 1070021141 /nfs/dbraw/zinc/02/11/41/1070021141.db2.gz FCDPSTQEGNIRKB-HOTGVXAUSA-N 1 1 458.481 3.743 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001307502809 1070021156 /nfs/dbraw/zinc/02/11/56/1070021156.db2.gz FCDPSTQEGNIRKB-HOTGVXAUSA-N 1 1 458.481 3.743 20 5 JHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001307500040 1070019444 /nfs/dbraw/zinc/01/94/44/1070019444.db2.gz AGTQAXZPBLARRF-QGZVFWFLSA-N 1 1 458.946 3.661 20 5 JHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001307500040 1070019458 /nfs/dbraw/zinc/01/94/58/1070019458.db2.gz AGTQAXZPBLARRF-QGZVFWFLSA-N 1 1 458.946 3.661 20 5 JHBDMO COc1ccccc1-c1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001307677124 1070119610 /nfs/dbraw/zinc/11/96/10/1070119610.db2.gz KAEIFAJKIIKQPM-OAHLLOKOSA-N 1 1 451.483 3.860 20 5 JHBDMO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001307871324 1070218115 /nfs/dbraw/zinc/21/81/15/1070218115.db2.gz AQAKVMAKEGXWTE-UHFFFAOYSA-N 1 1 451.854 3.677 20 5 JHBDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001307871324 1070218120 /nfs/dbraw/zinc/21/81/20/1070218120.db2.gz AQAKVMAKEGXWTE-UHFFFAOYSA-N 1 1 451.854 3.677 20 5 JHBDMO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC001308077843 1070305051 /nfs/dbraw/zinc/30/50/51/1070305051.db2.gz MDWPJFKRLGTRGN-LRAJWGHMSA-N 1 1 487.475 3.892 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC001308126652 1070323885 /nfs/dbraw/zinc/32/38/85/1070323885.db2.gz XYTUGGDXLYXQCE-ICSRJNTNSA-N 1 1 458.902 3.748 20 5 JHBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001309112894 1070546036 /nfs/dbraw/zinc/54/60/36/1070546036.db2.gz RBUKOFQDVBXJAR-MRXNPFEDSA-N 1 1 457.474 3.804 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362316 1070723572 /nfs/dbraw/zinc/72/35/72/1070723572.db2.gz DMDMTBNYNKICPI-FOIQADDNSA-N 1 1 455.939 3.975 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362316 1070723584 /nfs/dbraw/zinc/72/35/84/1070723584.db2.gz DMDMTBNYNKICPI-FOIQADDNSA-N 1 1 455.939 3.975 20 5 JHBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c([N+](=O)[O-])s1 ZINC001309915529 1071015867 /nfs/dbraw/zinc/01/58/67/1071015867.db2.gz NMUQRMNWJVIJOC-VQTJNVASSA-N 1 1 457.577 3.911 20 5 JHBDMO CC[N@@H+](CCn1c(C(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)CCC(F)(F)F ZINC001313806642 1071225004 /nfs/dbraw/zinc/22/50/04/1071225004.db2.gz UQBQKYLFJJVSAR-UHFFFAOYSA-N 1 1 472.516 3.622 20 5 JHBDMO CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC001313806791 1071225878 /nfs/dbraw/zinc/22/58/78/1071225878.db2.gz YPNIENVPQIPOCU-NRFANRHFSA-N 1 1 499.616 3.785 20 5 JHBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@H]1C ZINC001313859337 1071363612 /nfs/dbraw/zinc/36/36/12/1071363612.db2.gz FZZXEXDISZAMBM-SJORKVTESA-N 1 1 455.588 3.862 20 5 JHBDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313921856 1071562461 /nfs/dbraw/zinc/56/24/61/1071562461.db2.gz SZZZSVTWKXKWFL-RTBURBONSA-N 1 1 498.657 3.576 20 5 JHBDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313921850 1071562629 /nfs/dbraw/zinc/56/26/29/1071562629.db2.gz SZZZSVTWKXKWFL-OALUTQOASA-N 1 1 498.657 3.576 20 5 JHBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306406643 1068877938 /nfs/dbraw/zinc/87/79/38/1068877938.db2.gz MZOPMDOSWCXOSL-GGAORHGYSA-N 1 1 499.660 3.521 20 5 JHBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306406643 1068877946 /nfs/dbraw/zinc/87/79/46/1068877946.db2.gz MZOPMDOSWCXOSL-GGAORHGYSA-N 1 1 499.660 3.521 20 5 JHBDMO CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2sc(C)nc2C)CC[N@H+]1CCOC ZINC001306618091 1069300348 /nfs/dbraw/zinc/30/03/48/1069300348.db2.gz QQKDDSZMMMDRGR-OAQYLSRUSA-N 1 1 499.641 3.912 20 5 JHBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CCC2 ZINC001164816645 720245363 /nfs/dbraw/zinc/24/53/63/720245363.db2.gz LAVHQQCUUSTQMA-UHFFFAOYSA-N 1 1 466.517 3.603 20 5 JHBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164840404 720676932 /nfs/dbraw/zinc/67/69/32/720676932.db2.gz MGKKUXGRYVKSRU-HNNXBMFYSA-N 1 1 452.342 3.952 20 5 JHBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758186 720884039 /nfs/dbraw/zinc/88/40/39/720884039.db2.gz XNFXOAXMYYUEPJ-XXBNENTESA-N 1 1 457.962 3.793 20 5 JHBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756607 720886063 /nfs/dbraw/zinc/88/60/63/720886063.db2.gz QXWWHVHCBRGNBA-HFZDXXHNSA-N 1 1 474.565 3.688 20 5 JHBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164861565 720891048 /nfs/dbraw/zinc/89/10/48/720891048.db2.gz PTQISFQOLWNYQZ-RLWLMLJZSA-N 1 1 492.576 3.896 20 5 JHBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164888797 721404814 /nfs/dbraw/zinc/40/48/14/721404814.db2.gz OQVQYTVESCYSAA-HXOBKFHXSA-N 1 1 459.978 3.562 20 5 JHBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164889103 721450967 /nfs/dbraw/zinc/45/09/67/721450967.db2.gz NMPZPTPFGUWAAC-JPYJTQIMSA-N 1 1 459.978 3.562 20 5 JHBDMO Cc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001164808818 721569751 /nfs/dbraw/zinc/56/97/51/721569751.db2.gz VVEARVPNCGGRFN-RSEQLOHWSA-N 1 1 460.538 3.623 20 5 JHBDMO Cc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001164808818 721569756 /nfs/dbraw/zinc/56/97/56/721569756.db2.gz VVEARVPNCGGRFN-RSEQLOHWSA-N 1 1 460.538 3.623 20 5 JHBDMO CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164812016 721583816 /nfs/dbraw/zinc/58/38/16/721583816.db2.gz ZNJLNMJEOQGJOA-SONWIMMPSA-N 1 1 474.565 3.877 20 5 JHBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@H]2CCCO[C@H]12 ZINC001164811940 721586633 /nfs/dbraw/zinc/58/66/33/721586633.db2.gz ZCPSYYFZSBADDA-FJIJXJHWSA-N 1 1 480.956 3.968 20 5 JHBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@H]2CCCO[C@H]12 ZINC001164811940 721586636 /nfs/dbraw/zinc/58/66/36/721586636.db2.gz ZCPSYYFZSBADDA-FJIJXJHWSA-N 1 1 480.956 3.968 20 5 JHBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164977073 722142209 /nfs/dbraw/zinc/14/22/09/722142209.db2.gz ILVQTCDJLUVMFM-VGOFRKELSA-N 1 1 453.930 3.919 20 5 JHBDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001306724229 1069465263 /nfs/dbraw/zinc/46/52/63/1069465263.db2.gz XRYRLPFZRRXNQI-NRFANRHFSA-N 1 1 485.633 3.859 20 5 JHBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001306849947 1069659051 /nfs/dbraw/zinc/65/90/51/1069659051.db2.gz DRCOUZZDWPOHLV-CQSZACIVSA-N 1 1 454.708 3.830 20 5 JHBDMO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001306994035 1069695537 /nfs/dbraw/zinc/69/55/37/1069695537.db2.gz OUKSZQXTESUAPT-UHFFFAOYSA-N 1 1 451.492 3.647 20 5 JHBDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001307033950 1069749539 /nfs/dbraw/zinc/74/95/39/1069749539.db2.gz GDJIQCKQEZBRTC-LJQANCHMSA-N 1 1 451.575 3.603 20 5 JHBDMO CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)CC)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001307037948 1069759777 /nfs/dbraw/zinc/75/97/77/1069759777.db2.gz XXDLNFBEUDJHPF-WOJBJXKFSA-N 1 1 455.607 3.758 20 5 JHBDMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)CC)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001307037946 1069759873 /nfs/dbraw/zinc/75/98/73/1069759873.db2.gz XXDLNFBEUDJHPF-UXHICEINSA-N 1 1 455.607 3.758 20 5 JHBDMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001307058443 1069838924 /nfs/dbraw/zinc/83/89/24/1069838924.db2.gz NGDNOCXGEPVUMM-IRLDBZIGSA-N 1 1 456.591 3.634 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001307512295 1070027656 /nfs/dbraw/zinc/02/76/56/1070027656.db2.gz BNXYAXIBBRRKMT-RUZDIDTESA-N 1 1 452.555 3.920 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001307512295 1070027668 /nfs/dbraw/zinc/02/76/68/1070027668.db2.gz BNXYAXIBBRRKMT-RUZDIDTESA-N 1 1 452.555 3.920 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001307512295 1070027681 /nfs/dbraw/zinc/02/76/81/1070027681.db2.gz BNXYAXIBBRRKMT-RUZDIDTESA-N 1 1 452.555 3.920 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001307512295 1070027695 /nfs/dbraw/zinc/02/76/95/1070027695.db2.gz BNXYAXIBBRRKMT-RUZDIDTESA-N 1 1 452.555 3.920 20 5 JHBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307648927 1070101049 /nfs/dbraw/zinc/10/10/49/1070101049.db2.gz CPDHRCQXMHHYQZ-WBVHZDCISA-N 1 1 450.536 3.557 20 5 JHBDMO COc1ccccc1-c1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001307677123 1070119654 /nfs/dbraw/zinc/11/96/54/1070119654.db2.gz KAEIFAJKIIKQPM-HNNXBMFYSA-N 1 1 451.483 3.860 20 5 JHBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001312823775 1070143708 /nfs/dbraw/zinc/14/37/08/1070143708.db2.gz QXFCODBGJQQAHZ-JOCHJYFZSA-N 1 1 451.571 3.729 20 5 JHBDMO Cc1ccc(-n2cc(C[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C(C)(C)C)n2)cc1 ZINC001308365329 1070361541 /nfs/dbraw/zinc/36/15/41/1070361541.db2.gz LZHHKAMGUUCIDQ-UHFFFAOYSA-N 1 1 456.568 3.950 20 5 JHBDMO COC(=O)COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC001308559748 1070389608 /nfs/dbraw/zinc/38/96/08/1070389608.db2.gz AXRMRLVKICLPDX-RUZDIDTESA-N 1 1 453.539 3.635 20 5 JHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247908 1070643089 /nfs/dbraw/zinc/64/30/89/1070643089.db2.gz CKVGNGWEFGMEFR-YOEHRIQHSA-N 1 1 457.474 3.803 20 5 JHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247906 1070643255 /nfs/dbraw/zinc/64/32/55/1070643255.db2.gz CKVGNGWEFGMEFR-RHSMWYFYSA-N 1 1 457.474 3.803 20 5 JHBDMO C[C@H](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001309270868 1070659016 /nfs/dbraw/zinc/65/90/16/1070659016.db2.gz NWNAAJAOVVAJNT-CQSZACIVSA-N 1 1 456.362 3.546 20 5 JHBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001309283358 1070668347 /nfs/dbraw/zinc/66/83/47/1070668347.db2.gz PJLJCUMPFFMNFT-JIPZTSHUSA-N 1 1 451.976 3.992 20 5 JHBDMO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc[nH]2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314832438 1071166231 /nfs/dbraw/zinc/16/62/31/1071166231.db2.gz LPKNLRGURIEBRL-UHFFFAOYSA-N 1 1 451.575 3.982 20 5 JHBDMO CC[N@@H+](CCn1c(-c2ccccc2F)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)C(C)C ZINC001313807932 1071230982 /nfs/dbraw/zinc/23/09/82/1071230982.db2.gz FKAQDKWYYBUILZ-UHFFFAOYSA-N 1 1 470.553 3.761 20 5 JHBDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313907652 1071528783 /nfs/dbraw/zinc/52/87/83/1071528783.db2.gz JKWWCOSLAZGZSF-NZQKXSOJSA-N 1 1 497.644 3.716 20 5 JHBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313933229 1071597714 /nfs/dbraw/zinc/59/77/14/1071597714.db2.gz NUMQFCPYXWZTHF-QGZVFWFLSA-N 1 1 483.573 3.735 20 5 JHBDMO CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933582 1071598386 /nfs/dbraw/zinc/59/83/86/1071598386.db2.gz OYISMWYORCEBPA-LJQANCHMSA-N 1 1 455.607 3.506 20 5 JHBDMO CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933582 1071598390 /nfs/dbraw/zinc/59/83/90/1071598390.db2.gz OYISMWYORCEBPA-LJQANCHMSA-N 1 1 455.607 3.506 20 5 JHBDMO CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933581 1071598730 /nfs/dbraw/zinc/59/87/30/1071598730.db2.gz OYISMWYORCEBPA-IBGZPJMESA-N 1 1 455.607 3.506 20 5 JHBDMO CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933581 1071598739 /nfs/dbraw/zinc/59/87/39/1071598739.db2.gz OYISMWYORCEBPA-IBGZPJMESA-N 1 1 455.607 3.506 20 5 JHBDMO CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[N@H+](CC)C2)s1 ZINC001305995104 1068357941 /nfs/dbraw/zinc/35/79/41/1068357941.db2.gz HYBFRYHDQHLMOZ-MRXNPFEDSA-N 1 1 455.588 3.850 20 5 JHBDMO CC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306328467 1068767593 /nfs/dbraw/zinc/76/75/93/1068767593.db2.gz JDFRDXNXIANOOV-WOJBJXKFSA-N 1 1 455.607 3.506 20 5 JHBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nc(C)c(C)s2)CC[N@H+]1CCOC ZINC001306406171 1068875560 /nfs/dbraw/zinc/87/55/60/1068875560.db2.gz KIRUNZAJOYRGJF-LJQANCHMSA-N 1 1 485.614 3.522 20 5 JHBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC001164812579 720236537 /nfs/dbraw/zinc/23/65/37/720236537.db2.gz GYFSLMGYHZBCBA-UHFFFAOYSA-N 1 1 456.934 3.604 20 5 JHBDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838419 720521980 /nfs/dbraw/zinc/52/19/80/720521980.db2.gz QVEZPYULPJZRQI-HRCADAONSA-N 1 1 454.909 3.762 20 5 JHBDMO CCOc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164752768 720899408 /nfs/dbraw/zinc/89/94/08/720899408.db2.gz FYOVDHFNXVGGKZ-PXDATVDWSA-N 1 1 467.570 3.539 20 5 JHBDMO CC(C)Oc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164746506 720919593 /nfs/dbraw/zinc/91/95/93/720919593.db2.gz BCPCRYWXRFOZLY-NVQXNPDNSA-N 1 1 481.597 3.927 20 5 JHBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164892072 721451040 /nfs/dbraw/zinc/45/10/40/721451040.db2.gz WOSFPJWIXUNTHO-OFVILXPXSA-N 1 1 469.561 3.561 20 5 JHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000751077511 1069432452 /nfs/dbraw/zinc/43/24/52/1069432452.db2.gz YKGCJUHGNDRERR-APWZRJJASA-N 1 1 477.302 3.956 20 5 JHBDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@](C)(OC)CC2)C1 ZINC001307033759 1069748235 /nfs/dbraw/zinc/74/82/35/1069748235.db2.gz MEOXZHYYNPCNJB-CYFREDJKSA-N 1 1 456.591 3.981 20 5 JHBDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001307057085 1069831422 /nfs/dbraw/zinc/83/14/22/1069831422.db2.gz VKGMNXCLLUYVGP-UNMCSNQZSA-N 1 1 483.617 3.613 20 5 JHBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001307105169 1069891663 /nfs/dbraw/zinc/89/16/63/1069891663.db2.gz VALCBGMHHSNMTM-INIZCTEOSA-N 1 1 452.296 3.979 20 5 JHBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001307105169 1069891673 /nfs/dbraw/zinc/89/16/73/1069891673.db2.gz VALCBGMHHSNMTM-INIZCTEOSA-N 1 1 452.296 3.979 20 5 JHBDMO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCN(C(=O)c2ccccc2)CC1 ZINC001307573170 1070060027 /nfs/dbraw/zinc/06/00/27/1070060027.db2.gz HIOQKMZGINYCMY-UHFFFAOYSA-N 1 1 450.539 3.501 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC001307810703 1070194132 /nfs/dbraw/zinc/19/41/32/1070194132.db2.gz MGTUXZAIQCFKHR-LAUBAEHRSA-N 1 1 456.930 3.872 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC001307810703 1070194136 /nfs/dbraw/zinc/19/41/36/1070194136.db2.gz MGTUXZAIQCFKHR-LAUBAEHRSA-N 1 1 456.930 3.872 20 5 JHBDMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(Br)cc1 ZINC001307860045 1070213855 /nfs/dbraw/zinc/21/38/55/1070213855.db2.gz KBWWPJSUOWDDBX-DLBZAZTESA-N 1 1 476.327 3.575 20 5 JHBDMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1c1ccc(F)cc1F ZINC001307862030 1070214782 /nfs/dbraw/zinc/21/47/82/1070214782.db2.gz UXVKZKVIMXDTIS-OCBCSQNSSA-N 1 1 458.421 3.873 20 5 JHBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1c1ccc(F)cc1F ZINC001307862030 1070214790 /nfs/dbraw/zinc/21/47/90/1070214790.db2.gz UXVKZKVIMXDTIS-OCBCSQNSSA-N 1 1 458.421 3.873 20 5 JHBDMO O=C(C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001308058058 1070296680 /nfs/dbraw/zinc/29/66/80/1070296680.db2.gz BNNKFUBWXWXIEH-UJKQEGAGSA-N 1 1 454.708 3.589 20 5 JHBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362704 1070361343 /nfs/dbraw/zinc/36/13/43/1070361343.db2.gz DSTYDPIYJXQJIA-LIRRHRJNSA-N 1 1 451.308 3.810 20 5 JHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362704 1070361357 /nfs/dbraw/zinc/36/13/57/1070361357.db2.gz DSTYDPIYJXQJIA-LIRRHRJNSA-N 1 1 451.308 3.810 20 5 JHBDMO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001308903754 1070456655 /nfs/dbraw/zinc/45/66/55/1070456655.db2.gz YFVGUVAOBSWFRT-XMMPIXPASA-N 1 1 459.543 3.743 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362318 1070723405 /nfs/dbraw/zinc/72/34/05/1070723405.db2.gz DMDMTBNYNKICPI-QRWLVFNGSA-N 1 1 455.939 3.975 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362318 1070723423 /nfs/dbraw/zinc/72/34/23/1070723423.db2.gz DMDMTBNYNKICPI-QRWLVFNGSA-N 1 1 455.939 3.975 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362317 1070723504 /nfs/dbraw/zinc/72/35/04/1070723504.db2.gz DMDMTBNYNKICPI-MGPUTAFESA-N 1 1 455.939 3.975 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362317 1070723516 /nfs/dbraw/zinc/72/35/16/1070723516.db2.gz DMDMTBNYNKICPI-MGPUTAFESA-N 1 1 455.939 3.975 20 5 JHBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309767420 1070960174 /nfs/dbraw/zinc/96/01/74/1070960174.db2.gz KSXLGCKODAUBSZ-RHSMWYFYSA-N 1 1 457.474 3.803 20 5 JHBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309767420 1070960183 /nfs/dbraw/zinc/96/01/83/1070960183.db2.gz KSXLGCKODAUBSZ-RHSMWYFYSA-N 1 1 457.474 3.803 20 5 JHBDMO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314748987 1070998312 /nfs/dbraw/zinc/99/83/12/1070998312.db2.gz FRHGGUMUDLRTRV-UHFFFAOYSA-N 1 1 492.584 3.735 20 5 JHBDMO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001314833143 1071169237 /nfs/dbraw/zinc/16/92/37/1071169237.db2.gz IFZVNJLQJOVRKQ-FQEVSTJZSA-N 1 1 456.591 3.634 20 5 JHBDMO CC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001313893724 1071491056 /nfs/dbraw/zinc/49/10/56/1071491056.db2.gz FIQVFUQCSZHSPG-QFIPXVFZSA-N 1 1 463.586 3.929 20 5 JHBDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001313912629 1071540482 /nfs/dbraw/zinc/54/04/82/1071540482.db2.gz VNNPSZNWUKVOLT-NRFANRHFSA-N 1 1 451.575 3.745 20 5 JHBDMO CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001306043481 1068461495 /nfs/dbraw/zinc/46/14/95/1068461495.db2.gz QTCVZRDYIYYHPP-QZTJIDSGSA-N 1 1 480.617 3.679 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306319396 1068745458 /nfs/dbraw/zinc/74/54/58/1068745458.db2.gz LAVQSSYBCNBLPZ-OAQYLSRUSA-N 1 1 483.617 3.565 20 5 JHBDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001306320091 1068748127 /nfs/dbraw/zinc/74/81/27/1068748127.db2.gz PITDUUGCRJKMHL-RBBKRZOGSA-N 1 1 456.591 3.979 20 5 JHBDMO CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCSC2)CC[N@H+]1CCOC ZINC001306616193 1069297683 /nfs/dbraw/zinc/29/76/83/1069297683.db2.gz FMXXUSZEQOLFQH-RXVVDRJESA-N 1 1 474.631 3.544 20 5 JHBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3ccccc3cc1COc1ccccc1[N+](=O)[O-])CC2 ZINC001164691056 719756109 /nfs/dbraw/zinc/75/61/09/719756109.db2.gz KQMQFKQCRUPCEP-UHFFFAOYSA-N 1 1 489.576 3.903 20 5 JHBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164712705 720141106 /nfs/dbraw/zinc/14/11/06/720141106.db2.gz OMQDHRUZOQXFMX-QHCPKHFHSA-N 1 1 474.565 3.954 20 5 JHBDMO CCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164816805 720180662 /nfs/dbraw/zinc/18/06/62/720180662.db2.gz MUBWIJNBGGGPIQ-NLFFAJNJSA-N 1 1 451.571 3.799 20 5 JHBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164734499 720463029 /nfs/dbraw/zinc/46/30/29/720463029.db2.gz SXDSRUQEAGIXOZ-OALUTQOASA-N 1 1 490.593 3.709 20 5 JHBDMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838765 720618837 /nfs/dbraw/zinc/61/88/37/720618837.db2.gz LPWNYGDVPGJBEL-MDNUFGMLSA-N 1 1 461.570 3.935 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164841038 720649108 /nfs/dbraw/zinc/64/91/08/720649108.db2.gz OSPZKAIVFCIRCE-AYBZRNKSSA-N 1 1 455.950 3.766 20 5 JHBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164840407 720677360 /nfs/dbraw/zinc/67/73/60/720677360.db2.gz MGKKUXGRYVKSRU-OAHLLOKOSA-N 1 1 452.342 3.952 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737484 720765836 /nfs/dbraw/zinc/76/58/36/720765836.db2.gz BVYARYLPVLNBQO-ROUUACIJSA-N 1 1 489.561 3.707 20 5 JHBDMO Cc1c(C)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164753466 720893808 /nfs/dbraw/zinc/89/38/08/720893808.db2.gz GWRVMZMGRVXJKR-WIOPSUGQSA-N 1 1 451.571 3.757 20 5 JHBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164752064 720931458 /nfs/dbraw/zinc/93/14/58/720931458.db2.gz NALKBMCJULMNMX-LVXARBLLSA-N 1 1 474.565 3.688 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164780387 721376232 /nfs/dbraw/zinc/37/62/32/721376232.db2.gz GQDYHQAXGCEDLR-XMMPIXPASA-N 1 1 451.527 3.867 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164788814 721473313 /nfs/dbraw/zinc/47/33/13/721473313.db2.gz LJGXLRBIIKMHSG-JOCHJYFZSA-N 1 1 454.571 3.877 20 5 JHBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907422 721586749 /nfs/dbraw/zinc/58/67/49/721586749.db2.gz SKUPPNYTSDFRJD-SFHVURJKSA-N 1 1 470.933 3.893 20 5 JHBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936259 721889550 /nfs/dbraw/zinc/88/95/50/721889550.db2.gz YWEMUWPIZXZBIF-PKTZIBPZSA-N 1 1 461.566 3.937 20 5 JHBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936259 721889552 /nfs/dbraw/zinc/88/95/52/721889552.db2.gz YWEMUWPIZXZBIF-PKTZIBPZSA-N 1 1 461.566 3.937 20 5 JHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962430 722054509 /nfs/dbraw/zinc/05/45/09/722054509.db2.gz DMYPGIDYXFZUPG-UHFFFAOYSA-N 1 1 468.945 3.705 20 5 JHBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971215 722155163 /nfs/dbraw/zinc/15/51/63/722155163.db2.gz BCRSDJVNFPFCHF-PGRDOPGGSA-N 1 1 453.930 3.919 20 5 JHBDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312063239 1069699826 /nfs/dbraw/zinc/69/98/26/1069699826.db2.gz IXEZIKFLKURQRV-IFMALSPDSA-N 1 1 451.571 3.695 20 5 JHBDMO CN(C)S(=O)(=O)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c([N+](=O)[O-])c1 ZINC001307176894 1069904741 /nfs/dbraw/zinc/90/47/41/1069904741.db2.gz LRPKBMMFICTERE-IBGZPJMESA-N 1 1 458.584 3.559 20 5 JHBDMO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001307622939 1070085462 /nfs/dbraw/zinc/08/54/62/1070085462.db2.gz GYKIDAWEUZKRHP-NWDGAFQWSA-N 1 1 450.289 3.806 20 5 JHBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001312826220 1070144660 /nfs/dbraw/zinc/14/46/60/1070144660.db2.gz ZJJZZVBPWCIAEY-QFIPXVFZSA-N 1 1 451.571 3.729 20 5 JHBDMO COc1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001307994155 1070273142 /nfs/dbraw/zinc/27/31/42/1070273142.db2.gz YFCHSZAMRRYCEY-MRXNPFEDSA-N 1 1 450.536 3.701 20 5 JHBDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1C ZINC001313238216 1070301747 /nfs/dbraw/zinc/30/17/47/1070301747.db2.gz GUDQSLMHZONFBF-GOSISDBHSA-N 1 1 455.559 3.982 20 5 JHBDMO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001308106384 1070313156 /nfs/dbraw/zinc/31/31/56/1070313156.db2.gz QLLHWUWRVPDWQH-HMXCVIKNSA-N 1 1 468.535 3.792 20 5 JHBDMO COc1cc(CNc2ccc(NC(=O)C[NH+](C)C)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308322349 1070356618 /nfs/dbraw/zinc/35/66/18/1070356618.db2.gz YQPCUXJFRORGCT-UHFFFAOYSA-N 1 1 456.421 3.657 20 5 JHBDMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nnc1C(C)(C)C ZINC001313453759 1070386014 /nfs/dbraw/zinc/38/60/14/1070386014.db2.gz VQGGMQQSSFZRER-IBGZPJMESA-N 1 1 455.607 3.685 20 5 JHBDMO C[N@@H+](CCN1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1)Cc1ccccc1 ZINC001308616664 1070402549 /nfs/dbraw/zinc/40/25/49/1070402549.db2.gz ZMKQQNIAEIVOGT-UHFFFAOYSA-N 1 1 453.406 3.668 20 5 JHBDMO CCOCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccc(Cl)s2)CC1 ZINC001314496322 1070417086 /nfs/dbraw/zinc/41/70/86/1070417086.db2.gz IEMIXAMBUSCTFS-UHFFFAOYSA-N 1 1 491.017 3.969 20 5 JHBDMO COc1ccc([C@@H](CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC001309012350 1070483494 /nfs/dbraw/zinc/48/34/94/1070483494.db2.gz ZZAONBRLFHNEQP-HXUWFJFHSA-N 1 1 453.948 3.681 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(ccnc2N(C)C)C1)C(C)C ZINC001313806576 1071225181 /nfs/dbraw/zinc/22/51/81/1071225181.db2.gz VJGMALZYEBZAQE-UHFFFAOYSA-N 1 1 478.601 3.607 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC001313813166 1071253584 /nfs/dbraw/zinc/25/35/84/1071253584.db2.gz RQXUXHMGEILBTR-UHFFFAOYSA-N 1 1 478.601 3.614 20 5 JHBDMO C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC001314864184 1071262404 /nfs/dbraw/zinc/26/24/04/1071262404.db2.gz MLPMLFSJIHGSHU-UHFFFAOYSA-N 1 1 469.634 3.976 20 5 JHBDMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313860572 1071371352 /nfs/dbraw/zinc/37/13/52/1071371352.db2.gz MCOFHTBBDRXQMX-WFXMLNOXSA-N 1 1 467.574 3.668 20 5 JHBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313860572 1071371362 /nfs/dbraw/zinc/37/13/62/1071371362.db2.gz MCOFHTBBDRXQMX-WFXMLNOXSA-N 1 1 467.574 3.668 20 5 JHBDMO CC[NH+]1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313957041 1071659429 /nfs/dbraw/zinc/65/94/29/1071659429.db2.gz CBNSSWLNUSTARM-OAQYLSRUSA-N 1 1 469.634 3.753 20 5 JHBDMO CC[NH+]1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313958841 1071665145 /nfs/dbraw/zinc/66/51/45/1071665145.db2.gz WZRGNAFCOYBAHK-UHFFFAOYSA-N 1 1 469.615 3.579 20 5 JHBDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001306320185 1068747949 /nfs/dbraw/zinc/74/79/49/1068747949.db2.gz RCVMIDQWTYNXNM-CTNGQTDRSA-N 1 1 456.591 3.981 20 5 JHBDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001306320186 1068748286 /nfs/dbraw/zinc/74/82/86/1068748286.db2.gz RCVMIDQWTYNXNM-FPOVZHCZSA-N 1 1 456.591 3.981 20 5 JHBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164712142 720099686 /nfs/dbraw/zinc/09/96/86/720099686.db2.gz VYIBDBCDFNBSGJ-INIZCTEOSA-N 1 1 479.006 3.663 20 5 JHBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164818793 720189203 /nfs/dbraw/zinc/18/92/03/720189203.db2.gz UQTFSVKROBPTRT-JPYJTQIMSA-N 1 1 457.962 3.890 20 5 JHBDMO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838764 720617480 /nfs/dbraw/zinc/61/74/80/720617480.db2.gz LPWNYGDVPGJBEL-AKIFATBCSA-N 1 1 461.570 3.935 20 5 JHBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835563 720630506 /nfs/dbraw/zinc/63/05/06/720630506.db2.gz BGXDLHKGKMYGHH-CNNODRBYSA-N 1 1 465.533 3.765 20 5 JHBDMO CN(C)/C=C\c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839690 720710105 /nfs/dbraw/zinc/71/01/05/720710105.db2.gz MOKNLXKROUVKRI-REBWPMHBSA-N 1 1 451.571 3.782 20 5 JHBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752171 720805318 /nfs/dbraw/zinc/80/53/18/720805318.db2.gz ZANKVTRRROOPPQ-FCHUYYIVSA-N 1 1 498.543 3.854 20 5 JHBDMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CC2 ZINC001164875558 721327741 /nfs/dbraw/zinc/32/77/41/721327741.db2.gz MJQAATNHHFDMQI-UHFFFAOYSA-N 1 1 466.876 3.885 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2 ZINC001164786387 721455588 /nfs/dbraw/zinc/45/55/88/721455588.db2.gz MGZOBQWCDIQQKM-SFHVURJKSA-N 1 1 452.983 3.686 20 5 JHBDMO COc1cc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1[N+](=O)[O-] ZINC001164907419 721704810 /nfs/dbraw/zinc/70/48/10/721704810.db2.gz RTLWCPPPPWXIKB-JOCHJYFZSA-N 1 1 470.480 3.679 20 5 JHBDMO CN(C)/C=C/c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907385 721723426 /nfs/dbraw/zinc/72/34/26/721723426.db2.gz RJNZWMZVAYMEPB-MOVYNIQHSA-N 1 1 458.513 3.655 20 5 JHBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164973853 722125984 /nfs/dbraw/zinc/12/59/84/722125984.db2.gz HMLPEVIRMNHVRE-UWJYYQICSA-N 1 1 453.930 3.919 20 5 JHBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001306682041 1069412596 /nfs/dbraw/zinc/41/25/96/1069412596.db2.gz AMUJPGASPSZDON-MAUKXSAKSA-N 1 1 470.496 3.741 20 5 JHBDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001306724230 1069465250 /nfs/dbraw/zinc/46/52/50/1069465250.db2.gz XRYRLPFZRRXNQI-OAQYLSRUSA-N 1 1 485.633 3.859 20 5 JHBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001306908715 1069681939 /nfs/dbraw/zinc/68/19/39/1069681939.db2.gz NVTWKKDJRRPQOE-HXUWFJFHSA-N 1 1 458.584 3.846 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001307502811 1070020619 /nfs/dbraw/zinc/02/06/19/1070020619.db2.gz FCDPSTQEGNIRKB-JKSUJKDBSA-N 1 1 458.481 3.743 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001307502811 1070020634 /nfs/dbraw/zinc/02/06/34/1070020634.db2.gz FCDPSTQEGNIRKB-JKSUJKDBSA-N 1 1 458.481 3.743 20 5 JHBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC001307525789 1070034575 /nfs/dbraw/zinc/03/45/75/1070034575.db2.gz MUUOIZZRXKGBQS-HNNXBMFYSA-N 1 1 455.902 3.940 20 5 JHBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC001307525789 1070034597 /nfs/dbraw/zinc/03/45/97/1070034597.db2.gz MUUOIZZRXKGBQS-HNNXBMFYSA-N 1 1 455.902 3.940 20 5 JHBDMO C[N@H+]1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H]1Cc1ccccc1 ZINC001307750636 1070165804 /nfs/dbraw/zinc/16/58/04/1070165804.db2.gz VLFQSLAXMNLWAH-FQEVSTJZSA-N 1 1 451.552 3.516 20 5 JHBDMO COC1(c2noc(CC3CC[NH+]([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)CCCC1 ZINC001307948918 1070255059 /nfs/dbraw/zinc/25/50/59/1070255059.db2.gz KQNSHZHFEOTTIC-MRXNPFEDSA-N 1 1 457.531 3.675 20 5 JHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001308148301 1070329244 /nfs/dbraw/zinc/32/92/44/1070329244.db2.gz OVKHXUNSQITWQX-FQELHTAISA-N 1 1 452.536 3.581 20 5 JHBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001308148301 1070329264 /nfs/dbraw/zinc/32/92/64/1070329264.db2.gz OVKHXUNSQITWQX-FQELHTAISA-N 1 1 452.536 3.581 20 5 JHBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCNS(=O)(=O)c3ccc(Cl)s3)cs2)c1 ZINC001308340903 1070359543 /nfs/dbraw/zinc/35/95/43/1070359543.db2.gz LDEOBOUWRDUFTQ-UHFFFAOYSA-N 1 1 458.974 3.501 20 5 JHBDMO C[C@@H]1[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001308425405 1070373487 /nfs/dbraw/zinc/37/34/87/1070373487.db2.gz HYQSCCCYAJKVCB-AUUYWEPGSA-N 1 1 451.308 3.952 20 5 JHBDMO C[C@@H]1[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001308425405 1070373506 /nfs/dbraw/zinc/37/35/06/1070373506.db2.gz HYQSCCCYAJKVCB-AUUYWEPGSA-N 1 1 451.308 3.952 20 5 JHBDMO C[C@@H](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001309270865 1070658957 /nfs/dbraw/zinc/65/89/57/1070658957.db2.gz NWNAAJAOVVAJNT-AWEZNQCLSA-N 1 1 456.362 3.546 20 5 JHBDMO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001313548408 1070661120 /nfs/dbraw/zinc/66/11/20/1070661120.db2.gz LIVZYSIAGGAAAF-HXUWFJFHSA-N 1 1 497.644 3.813 20 5 JHBDMO C[N@@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC001309426891 1070763297 /nfs/dbraw/zinc/76/32/97/1070763297.db2.gz GCBILDJZOFIZDT-GOSISDBHSA-N 1 1 457.474 3.803 20 5 JHBDMO CC(C)Oc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[NH+](C)C)cc1 ZINC001309547591 1070846646 /nfs/dbraw/zinc/84/66/46/1070846646.db2.gz NSHRKNKUMQVYJE-HXUWFJFHSA-N 1 1 458.540 3.511 20 5 JHBDMO COc1ccc(S(=O)(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001309908147 1071012594 /nfs/dbraw/zinc/01/25/94/1071012594.db2.gz FOQKCCPDWNBMFD-WIOPSUGQSA-N 1 1 481.574 3.940 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1c(C)nn(C)c1C)C(C)C ZINC001313804955 1071218126 /nfs/dbraw/zinc/21/81/26/1071218126.db2.gz HCXUMXQYUZGEEW-UHFFFAOYSA-N 1 1 454.579 3.570 20 5 JHBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@@H]1C ZINC001313859336 1071363632 /nfs/dbraw/zinc/36/36/32/1071363632.db2.gz FZZXEXDISZAMBM-IRXDYDNUSA-N 1 1 455.588 3.862 20 5 JHBDMO CC[NH+]1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313957037 1071659538 /nfs/dbraw/zinc/65/95/38/1071659538.db2.gz CBNSSWLNUSTARM-NRFANRHFSA-N 1 1 469.634 3.753 20 5 JHBDMO CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001306028347 1068425147 /nfs/dbraw/zinc/42/51/47/1068425147.db2.gz AXGILURTUULMQS-NRFANRHFSA-N 1 1 499.641 3.865 20 5 JHBDMO CCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001306198652 1068591354 /nfs/dbraw/zinc/59/13/54/1068591354.db2.gz NDDJYBTVSIOXLC-HXUWFJFHSA-N 1 1 455.607 3.587 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001306320187 1068748089 /nfs/dbraw/zinc/74/80/89/1068748089.db2.gz RCVMIDQWTYNXNM-PZJWPPBQSA-N 1 1 456.591 3.981 20 5 JHBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164712144 720099004 /nfs/dbraw/zinc/09/90/04/720099004.db2.gz VYIBDBCDFNBSGJ-MRXNPFEDSA-N 1 1 479.006 3.663 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]21 ZINC001164838420 720522105 /nfs/dbraw/zinc/52/21/05/720522105.db2.gz QVEZPYULPJZRQI-JYJNAYRXSA-N 1 1 454.909 3.762 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC001164838572 720524690 /nfs/dbraw/zinc/52/46/90/720524690.db2.gz RRQALQIVXWIOTA-KNBMTAEXSA-N 1 1 455.950 3.766 20 5 JHBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838358 720608163 /nfs/dbraw/zinc/60/81/63/720608163.db2.gz KUBKSEBRFODJCH-HZSPNIEDSA-N 1 1 473.887 3.631 20 5 JHBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742606 720824337 /nfs/dbraw/zinc/82/43/37/720824337.db2.gz QCJPORPGLFFOKD-ABSDTBQOSA-N 1 1 467.961 3.767 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164783230 721457444 /nfs/dbraw/zinc/45/74/44/721457444.db2.gz AHFXZHFQWLJQAG-GOSISDBHSA-N 1 1 452.983 3.686 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908560 721554506 /nfs/dbraw/zinc/55/45/06/721554506.db2.gz QIQTWOZVRDENOH-AAEUAGOBSA-N 1 1 461.803 3.538 20 5 JHBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164965503 722062344 /nfs/dbraw/zinc/06/23/44/722062344.db2.gz KJVGOOPRWPALGO-UHFFFAOYSA-N 1 1 468.945 3.705 20 5 JHBDMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001306660882 1069380276 /nfs/dbraw/zinc/38/02/76/1069380276.db2.gz AFEMPCFSNFTXAR-HXUWFJFHSA-N 1 1 497.644 3.670 20 5 JHBDMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001306662586 1069383950 /nfs/dbraw/zinc/38/39/50/1069383950.db2.gz VWMNWOJWUNIUOO-UHFFFAOYSA-N 1 1 495.628 3.590 20 5 JHBDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001306731930 1069487850 /nfs/dbraw/zinc/48/78/50/1069487850.db2.gz TVKSREIEPYRYQM-QFIPXVFZSA-N 1 1 456.591 3.940 20 5 JHBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001311686793 1069503158 /nfs/dbraw/zinc/50/31/58/1069503158.db2.gz ALRPAZZBICUDNV-CVEARBPZSA-N 1 1 457.497 3.566 20 5 JHBDMO CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc[nH+]c2C)C1(C)C ZINC001314243248 1069951316 /nfs/dbraw/zinc/95/13/16/1069951316.db2.gz KUOHWVVZERDXPU-UXHICEINSA-N 1 1 453.547 3.698 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001307502808 1070020058 /nfs/dbraw/zinc/02/00/58/1070020058.db2.gz FCDPSTQEGNIRKB-CVEARBPZSA-N 1 1 458.481 3.743 20 5 JHBDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001307502808 1070020071 /nfs/dbraw/zinc/02/00/71/1070020071.db2.gz FCDPSTQEGNIRKB-CVEARBPZSA-N 1 1 458.481 3.743 20 5 JHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001307500848 1070019272 /nfs/dbraw/zinc/01/92/72/1070019272.db2.gz TWCUDZASEVUYAG-ZDUSSCGKSA-N 1 1 452.271 3.980 20 5 JHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001307500848 1070019291 /nfs/dbraw/zinc/01/92/91/1070019291.db2.gz TWCUDZASEVUYAG-ZDUSSCGKSA-N 1 1 452.271 3.980 20 5 JHBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 ZINC001307622938 1070084994 /nfs/dbraw/zinc/08/49/94/1070084994.db2.gz GYKIDAWEUZKRHP-NEPJUHHUSA-N 1 1 450.289 3.806 20 5 JHBDMO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307623718 1070086393 /nfs/dbraw/zinc/08/63/93/1070086393.db2.gz YXJLZHLCLVBJGA-RNODOKPDSA-N 1 1 458.902 3.770 20 5 JHBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001312823779 1070143639 /nfs/dbraw/zinc/14/36/39/1070143639.db2.gz QXFCODBGJQQAHZ-QFIPXVFZSA-N 1 1 451.571 3.729 20 5 JHBDMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001313179066 1070283812 /nfs/dbraw/zinc/28/38/12/1070283812.db2.gz UOKFRGRXKZLMQZ-UPVQGACJSA-N 1 1 452.555 3.693 20 5 JHBDMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001313179066 1070283824 /nfs/dbraw/zinc/28/38/24/1070283824.db2.gz UOKFRGRXKZLMQZ-UPVQGACJSA-N 1 1 452.555 3.693 20 5 JHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001308148303 1070329142 /nfs/dbraw/zinc/32/91/42/1070329142.db2.gz OVKHXUNSQITWQX-RRMPHLOHSA-N 1 1 452.536 3.581 20 5 JHBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001308148303 1070329160 /nfs/dbraw/zinc/32/91/60/1070329160.db2.gz OVKHXUNSQITWQX-RRMPHLOHSA-N 1 1 452.536 3.581 20 5 JHBDMO NC(=O)C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001308351532 1070360242 /nfs/dbraw/zinc/36/02/42/1070360242.db2.gz VGCBCKWJQZXDOM-OAHLLOKOSA-N 1 1 459.671 3.559 20 5 JHBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001313447512 1070367388 /nfs/dbraw/zinc/36/73/88/1070367388.db2.gz KJZPOXKKJSHXLP-FCHUYYIVSA-N 1 1 456.591 3.979 20 5 JHBDMO C[C@@H]1C[C@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@H+]1Cc1ccccc1 ZINC001309322355 1070698123 /nfs/dbraw/zinc/69/81/23/1070698123.db2.gz NCTMWRAJEZTRSX-ZBFHGGJFSA-N 1 1 455.939 3.966 20 5 JHBDMO CN(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC001314648621 1070752442 /nfs/dbraw/zinc/75/24/42/1070752442.db2.gz LOXHVWBMUVRMEJ-HXUWFJFHSA-N 1 1 467.574 3.670 20 5 JHBDMO CCN(CC)C(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001313637860 1070777203 /nfs/dbraw/zinc/77/72/03/1070777203.db2.gz OUOGFDUVNWTUHD-UHFFFAOYSA-N 1 1 497.644 3.957 20 5 JHBDMO CN(Cc1cc(Cl)ccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314720461 1070914789 /nfs/dbraw/zinc/91/47/89/1070914789.db2.gz ASYBOWNMDNKGPS-UHFFFAOYSA-N 1 1 499.019 3.564 20 5 JHBDMO CN(Cc1cc(Cl)ccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314720461 1070914807 /nfs/dbraw/zinc/91/48/07/1070914807.db2.gz ASYBOWNMDNKGPS-UHFFFAOYSA-N 1 1 499.019 3.564 20 5 JHBDMO CN(Cc1cc(Cl)ccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314720461 1070914823 /nfs/dbraw/zinc/91/48/23/1070914823.db2.gz ASYBOWNMDNKGPS-UHFFFAOYSA-N 1 1 499.019 3.564 20 5 JHBDMO CN(C[C@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001314788767 1071065273 /nfs/dbraw/zinc/06/52/73/1071065273.db2.gz JDAIEHRAUALBBN-FQEVSTJZSA-N 1 1 467.618 3.672 20 5 JHBDMO CN(C[C@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001314788767 1071065280 /nfs/dbraw/zinc/06/52/80/1071065280.db2.gz JDAIEHRAUALBBN-FQEVSTJZSA-N 1 1 467.618 3.672 20 5 JHBDMO CN(C[C@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001314788767 1071065292 /nfs/dbraw/zinc/06/52/92/1071065292.db2.gz JDAIEHRAUALBBN-FQEVSTJZSA-N 1 1 467.618 3.672 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)C1)CCC(F)(F)F ZINC001313806692 1071224971 /nfs/dbraw/zinc/22/49/71/1071224971.db2.gz XPNDTMSYDGHVKL-UHFFFAOYSA-N 1 1 470.496 3.743 20 5 JHBDMO CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001313816442 1071262681 /nfs/dbraw/zinc/26/26/81/1071262681.db2.gz DACVULJYUHZJBJ-UHFFFAOYSA-N 1 1 455.607 3.586 20 5 JHBDMO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)C(C)C ZINC001313818628 1071269599 /nfs/dbraw/zinc/26/95/99/1071269599.db2.gz NRYJBEHUFWOOFR-UHFFFAOYSA-N 1 1 484.580 3.685 20 5 JHBDMO CC[C@@H](NC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001310387096 1071359350 /nfs/dbraw/zinc/35/93/50/1071359350.db2.gz VREMJJWWNKGFRC-JOCHJYFZSA-N 1 1 453.543 3.574 20 5 JHBDMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001313893014 1071489420 /nfs/dbraw/zinc/48/94/20/1071489420.db2.gz BHXISHFFDSTKMQ-HXUWFJFHSA-N 1 1 454.600 3.859 20 5 JHBDMO CC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001313893723 1071491090 /nfs/dbraw/zinc/49/10/90/1071491090.db2.gz FIQVFUQCSZHSPG-JOCHJYFZSA-N 1 1 463.586 3.929 20 5 JHBDMO CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306043479 1068461619 /nfs/dbraw/zinc/46/16/19/1068461619.db2.gz QTCVZRDYIYYHPP-MSOLQXFVSA-N 1 1 480.617 3.679 20 5 JHBDMO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001306320850 1068750342 /nfs/dbraw/zinc/75/03/42/1068750342.db2.gz XVRFSLQTDZCSPW-TZIWHRDSSA-N 1 1 455.607 3.648 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001306320850 1068750353 /nfs/dbraw/zinc/75/03/53/1068750353.db2.gz XVRFSLQTDZCSPW-TZIWHRDSSA-N 1 1 455.607 3.648 20 5 JHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cn1 ZINC001310875841 1069203168 /nfs/dbraw/zinc/20/31/68/1069203168.db2.gz CAGBKVVOWHNKKT-KRWDZBQOSA-N 1 1 452.368 3.726 20 5 JHBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc31)CC2 ZINC001164690253 719742582 /nfs/dbraw/zinc/74/25/82/719742582.db2.gz WWBFTLIZSAZQLU-UHFFFAOYSA-N 1 1 480.594 3.756 20 5 JHBDMO CCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164816803 720181077 /nfs/dbraw/zinc/18/10/77/720181077.db2.gz MUBWIJNBGGGPIQ-NBGIEHNGSA-N 1 1 451.571 3.799 20 5 JHBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852386 720855343 /nfs/dbraw/zinc/85/53/43/720855343.db2.gz COQMLMCIAGZNNS-VFNWGFHPSA-N 1 1 480.924 3.748 20 5 JHBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1-c1ccccc1 ZINC001164749314 720858212 /nfs/dbraw/zinc/85/82/12/720858212.db2.gz MZSBUHMFURYCHB-BHDDXSALSA-N 1 1 459.554 3.628 20 5 JHBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164861561 720890934 /nfs/dbraw/zinc/89/09/34/720890934.db2.gz PTQISFQOLWNYQZ-QFQXNSOFSA-N 1 1 492.576 3.896 20 5 JHBDMO CCOc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164752772 720899591 /nfs/dbraw/zinc/89/95/91/720899591.db2.gz FYOVDHFNXVGGKZ-SQJMNOBHSA-N 1 1 467.570 3.539 20 5 JHBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164890780 721435412 /nfs/dbraw/zinc/43/54/12/721435412.db2.gz FSBCNRPVGLBOOD-FDDCHVKYSA-N 1 1 459.978 3.562 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164788638 721454683 /nfs/dbraw/zinc/45/46/83/721454683.db2.gz RUJQHRGSGNEKQK-QGZVFWFLSA-N 1 1 488.963 3.922 20 5 JHBDMO CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164812009 721583566 /nfs/dbraw/zinc/58/35/66/721583566.db2.gz ZNJLNMJEOQGJOA-GIFXNVAJSA-N 1 1 474.565 3.877 20 5 JHBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164811924 721586647 /nfs/dbraw/zinc/58/66/47/721586647.db2.gz ZCPSYYFZSBADDA-BGWNEDDSSA-N 1 1 480.956 3.968 20 5 JHBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164811924 721586649 /nfs/dbraw/zinc/58/66/49/721586649.db2.gz ZCPSYYFZSBADDA-BGWNEDDSSA-N 1 1 480.956 3.968 20 5 JHBDMO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(Cl)nn1 ZINC001164967285 722078059 /nfs/dbraw/zinc/07/80/59/722078059.db2.gz AARWAZRMTCXCGE-GASCZTMLSA-N 1 1 465.888 3.550 20 5 JHBDMO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(Cl)nn1 ZINC001164967285 722078060 /nfs/dbraw/zinc/07/80/60/722078060.db2.gz AARWAZRMTCXCGE-GASCZTMLSA-N 1 1 465.888 3.550 20 5 JHBDMO CCOC(=O)c1nc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164995630 722192576 /nfs/dbraw/zinc/19/25/76/722192576.db2.gz WGMBDIQPDOBMPH-NRFANRHFSA-N 1 1 463.897 3.599 20 5 JHBDMO CCOC(=O)c1nc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164995630 722192579 /nfs/dbraw/zinc/19/25/79/722192579.db2.gz WGMBDIQPDOBMPH-NRFANRHFSA-N 1 1 463.897 3.599 20 5 JHBDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312063242 1069699773 /nfs/dbraw/zinc/69/97/73/1069699773.db2.gz IXEZIKFLKURQRV-UNMCSNQZSA-N 1 1 451.571 3.695 20 5 JHBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001307054953 1069818084 /nfs/dbraw/zinc/81/80/84/1069818084.db2.gz MLRBBIPVIAQWNI-MOPGFXCFSA-N 1 1 482.507 3.885 20 5 JHBDMO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[N@H+](C4CC4)C[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001307131020 1069898481 /nfs/dbraw/zinc/89/84/81/1069898481.db2.gz XXTAESKSRQQXPW-KRWDZBQOSA-N 1 1 458.584 3.933 20 5 JHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC001307622773 1070085570 /nfs/dbraw/zinc/08/55/70/1070085570.db2.gz RAJROZFIESKACK-UHFFFAOYSA-N 1 1 452.939 3.910 20 5 JHBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC001307622773 1070085588 /nfs/dbraw/zinc/08/55/88/1070085588.db2.gz RAJROZFIESKACK-UHFFFAOYSA-N 1 1 452.939 3.910 20 5 JHBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC001307716020 1070141654 /nfs/dbraw/zinc/14/16/54/1070141654.db2.gz QKKPCKFEIRWBKR-JOCHJYFZSA-N 1 1 450.511 3.786 20 5 JHBDMO CC(C)(C)c1cc(NC(=O)C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC001308000586 1070275948 /nfs/dbraw/zinc/27/59/48/1070275948.db2.gz VPGFDUCFUCLPNF-XMMPIXPASA-N 1 1 451.527 3.514 20 5 JHBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccsc1 ZINC001309053579 1070510205 /nfs/dbraw/zinc/51/02/05/1070510205.db2.gz QMNRALPCHAMBJP-MRXNPFEDSA-N 1 1 456.546 3.543 20 5 JHBDMO Cc1cc(Cl)c(S(=O)(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001309132836 1070557558 /nfs/dbraw/zinc/55/75/58/1070557558.db2.gz PVPONRGXEZBZPI-UHFFFAOYSA-N 1 1 451.976 3.886 20 5 JHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309201442 1070602744 /nfs/dbraw/zinc/60/27/44/1070602744.db2.gz LAMFAACOPSOTHU-OAHLLOKOSA-N 1 1 457.474 3.899 20 5 JHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309201442 1070602748 /nfs/dbraw/zinc/60/27/48/1070602748.db2.gz LAMFAACOPSOTHU-OAHLLOKOSA-N 1 1 457.474 3.899 20 5 JHBDMO C[C@H]1C[C@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@H+]1Cc1ccccc1 ZINC001309322351 1070697435 /nfs/dbraw/zinc/69/74/35/1070697435.db2.gz NCTMWRAJEZTRSX-HOCLYGCPSA-N 1 1 455.939 3.966 20 5 JHBDMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001310095275 1071116308 /nfs/dbraw/zinc/11/63/08/1071116308.db2.gz PCZLCKPPJLCKST-BGYRXZFFSA-N 1 1 459.547 3.675 20 5 JHBDMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC001313812477 1071250851 /nfs/dbraw/zinc/25/08/51/1071250851.db2.gz YRIRYBDFTKZBNW-UHFFFAOYSA-N 1 1 499.019 3.959 20 5 JHBDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001313894787 1071494052 /nfs/dbraw/zinc/49/40/52/1071494052.db2.gz COVPDKMASSFSEL-NRFANRHFSA-N 1 1 464.574 3.887 20 5 JHBDMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313909390 1071532464 /nfs/dbraw/zinc/53/24/64/1071532464.db2.gz PEPWKBJIKMMZQA-QFIPXVFZSA-N 1 1 483.617 3.598 20 5 JHBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313934003 1071600394 /nfs/dbraw/zinc/60/03/94/1071600394.db2.gz RBKCTTZLAUWRAD-QZTJIDSGSA-N 1 1 487.605 3.545 20 5 JHBDMO CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCC[NH+]2CCCC2)C[C@H]1C ZINC001313935104 1071604840 /nfs/dbraw/zinc/60/48/40/1071604840.db2.gz WLMGZPRDLGUJNE-HXUWFJFHSA-N 1 1 455.607 3.650 20 5 JHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)C1CCCC1 ZINC001313952355 1071645131 /nfs/dbraw/zinc/64/51/31/1071645131.db2.gz ZJCMZGSKPBBPDZ-FQEVSTJZSA-N 1 1 469.634 3.896 20 5 JHBDMO CCc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001306141073 1068542151 /nfs/dbraw/zinc/54/21/51/1068542151.db2.gz RYMDZAXAXCRTKL-IBGZPJMESA-N 1 1 472.981 3.743 20 5 JHBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2C[C@H](F)C2)CC[N@H+]1CCOC ZINC001306405941 1068875170 /nfs/dbraw/zinc/87/51/70/1068875170.db2.gz IKMAJSCHRRMXQQ-IHPCNDPISA-N 1 1 460.554 3.539 20 5 JHBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001310659528 1069092907 /nfs/dbraw/zinc/09/29/07/1069092907.db2.gz DLKVBCAOOXECAV-BBRMVZONSA-N 1 1 457.369 3.924 20 5 JHBDMO CCC(CC)[C@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[NH+]1CCOCC1 ZINC001310660139 1069093548 /nfs/dbraw/zinc/09/35/48/1069093548.db2.gz ACQNUMCUWYXGPO-SFHVURJKSA-N 1 1 457.369 3.924 20 5 JHBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)CC2 ZINC001164712509 720147322 /nfs/dbraw/zinc/14/73/22/720147322.db2.gz MXUDBLIUCRMMFA-HXUWFJFHSA-N 1 1 455.559 3.680 20 5 JHBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752184 720804826 /nfs/dbraw/zinc/80/48/26/720804826.db2.gz ZANKVTRRROOPPQ-VXKWHMMOSA-N 1 1 498.543 3.854 20 5 JHBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164758171 720886295 /nfs/dbraw/zinc/88/62/95/720886295.db2.gz XJXYTZDWUXHNJZ-HFZDXXHNSA-N 1 1 474.565 3.688 20 5 JHBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164752066 720930589 /nfs/dbraw/zinc/93/05/89/720930589.db2.gz NALKBMCJULMNMX-QFQXNSOFSA-N 1 1 474.565 3.688 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1 ZINC001164777388 721341939 /nfs/dbraw/zinc/34/19/39/721341939.db2.gz GOSIGPPCYOBDPW-FQEVSTJZSA-N 1 1 485.919 3.912 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1 ZINC001164777388 721341942 /nfs/dbraw/zinc/34/19/42/721341942.db2.gz GOSIGPPCYOBDPW-FQEVSTJZSA-N 1 1 485.919 3.912 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776408 721342641 /nfs/dbraw/zinc/34/26/41/721342641.db2.gz BECDSSSJDOETSZ-HSZRJFAPSA-N 1 1 486.960 3.915 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C2)C1 ZINC001164786141 721377067 /nfs/dbraw/zinc/37/70/67/721377067.db2.gz SVTUEBSFDUXLHY-QHCPKHFHSA-N 1 1 486.960 3.915 20 5 JHBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164963151 722054921 /nfs/dbraw/zinc/05/49/21/722054921.db2.gz HPODZRNITWOOJE-UHFFFAOYSA-N 1 1 467.904 3.702 20 5 JHBDMO CC[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312218784 1069789636 /nfs/dbraw/zinc/78/96/36/1069789636.db2.gz PVWHCQGWDYRYSL-UPVQGACJSA-N 1 1 452.555 3.948 20 5 JHBDMO CC[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312218784 1069789647 /nfs/dbraw/zinc/78/96/47/1069789647.db2.gz PVWHCQGWDYRYSL-UPVQGACJSA-N 1 1 452.555 3.948 20 5 JHBDMO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 ZINC001307078245 1069887544 /nfs/dbraw/zinc/88/75/44/1069887544.db2.gz ZEXPSAJBGFYHTB-GOSISDBHSA-N 1 1 455.483 3.849 20 5 JHBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC001307525790 1070034883 /nfs/dbraw/zinc/03/48/83/1070034883.db2.gz MUUOIZZRXKGBQS-OAHLLOKOSA-N 1 1 455.902 3.940 20 5 JHBDMO O=C(NC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1)c1ccccc1 ZINC001307525790 1070034899 /nfs/dbraw/zinc/03/48/99/1070034899.db2.gz MUUOIZZRXKGBQS-OAHLLOKOSA-N 1 1 455.902 3.940 20 5 JHBDMO O=C1c2ccccc2C(=O)N1CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001307572436 1070059317 /nfs/dbraw/zinc/05/93/17/1070059317.db2.gz XOIXMXQFIUQBMK-UHFFFAOYSA-N 1 1 458.312 3.866 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC001307810705 1070193975 /nfs/dbraw/zinc/19/39/75/1070193975.db2.gz MGTUXZAIQCFKHR-UWJYYQICSA-N 1 1 456.930 3.872 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC001307810705 1070193981 /nfs/dbraw/zinc/19/39/81/1070193981.db2.gz MGTUXZAIQCFKHR-UWJYYQICSA-N 1 1 456.930 3.872 20 5 JHBDMO CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307872204 1070218252 /nfs/dbraw/zinc/21/82/52/1070218252.db2.gz OGPCATOHBGHUBA-MRXNPFEDSA-N 1 1 456.362 3.719 20 5 JHBDMO C[C@@]1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308120933 1070320206 /nfs/dbraw/zinc/32/02/06/1070320206.db2.gz DWFKTGMYYIBZOB-NLJOTIRTSA-N 1 1 461.562 3.982 20 5 JHBDMO C[C@@]1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308120933 1070320229 /nfs/dbraw/zinc/32/02/29/1070320229.db2.gz DWFKTGMYYIBZOB-NLJOTIRTSA-N 1 1 461.562 3.982 20 5 JHBDMO Cc1cc(C(=O)N2CCN(CC3CC[NH+](CCc4ccc([N+](=O)[O-])cc4)CC3)CC2)c(C)o1 ZINC001308613078 1070401696 /nfs/dbraw/zinc/40/16/96/1070401696.db2.gz ZQOQECRWKVTDMW-UHFFFAOYSA-N 1 1 454.571 3.517 20 5 JHBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc[nH]2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314830648 1071162150 /nfs/dbraw/zinc/16/21/50/1071162150.db2.gz VETVXGSWTDYVMD-OAQYLSRUSA-N 1 1 451.575 3.981 20 5 JHBDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313919715 1071557465 /nfs/dbraw/zinc/55/74/65/1071557465.db2.gz FRRSXQOWIOAKIS-PMACEKPBSA-N 1 1 469.634 3.752 20 5 JHBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2scnc2C)CC1 ZINC001313949045 1071635231 /nfs/dbraw/zinc/63/52/31/1071635231.db2.gz GZTHWUKIIKUMBT-SFHVURJKSA-N 1 1 498.657 3.528 20 5 JHBDMO CC[NH+]1CCN(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313954525 1071651864 /nfs/dbraw/zinc/65/18/64/1071651864.db2.gz PRJHDXQXUBVTEX-FQEVSTJZSA-N 1 1 455.607 3.507 20 5 JHBDMO CC[NH+]1CCN(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313955505 1071655393 /nfs/dbraw/zinc/65/53/93/1071655393.db2.gz VHBZPIMQAGWHRH-RUZDIDTESA-N 1 1 469.634 3.897 20 5 JHBDMO CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CC=CCC2)cs1 ZINC001306029276 1068427041 /nfs/dbraw/zinc/42/70/41/1068427041.db2.gz HVZGRXKQSJINLU-UHFFFAOYSA-N 1 1 453.572 3.771 20 5 JHBDMO CCc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306196793 1068588849 /nfs/dbraw/zinc/58/88/49/1068588849.db2.gz JBGATNHNYPGJEL-OYRHEFFESA-N 1 1 469.634 3.833 20 5 JHBDMO CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCSC2)CC[N@H+]1CCOC ZINC001306616189 1069297834 /nfs/dbraw/zinc/29/78/34/1069297834.db2.gz FMXXUSZEQOLFQH-GHTZIAJQSA-N 1 1 474.631 3.544 20 5 JHBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)CC2 ZINC001164712507 720147822 /nfs/dbraw/zinc/14/78/22/720147822.db2.gz MXUDBLIUCRMMFA-FQEVSTJZSA-N 1 1 455.559 3.680 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC001164838361 720607094 /nfs/dbraw/zinc/60/70/94/720607094.db2.gz KUBKSEBRFODJCH-RDBSUJKOSA-N 1 1 473.887 3.631 20 5 JHBDMO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838766 720619331 /nfs/dbraw/zinc/61/93/31/720619331.db2.gz LPWNYGDVPGJBEL-YMPZKCBVSA-N 1 1 461.570 3.935 20 5 JHBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1-c1ccc(F)cc1 ZINC001164748730 720858934 /nfs/dbraw/zinc/85/89/34/720858934.db2.gz LVWNJCAVQBEFIL-KSEOMHKRSA-N 1 1 477.544 3.767 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164874499 721170645 /nfs/dbraw/zinc/17/06/45/721170645.db2.gz KEFUJTMAWDGNHJ-MOPGFXCFSA-N 1 1 466.929 3.580 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C2)C1 ZINC001164778179 721348753 /nfs/dbraw/zinc/34/87/53/721348753.db2.gz JZFURWIYSROBEO-XMMPIXPASA-N 1 1 451.527 3.867 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C2)C1 ZINC001164778179 721348756 /nfs/dbraw/zinc/34/87/56/721348756.db2.gz JZFURWIYSROBEO-XMMPIXPASA-N 1 1 451.527 3.867 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164784916 721459174 /nfs/dbraw/zinc/45/91/74/721459174.db2.gz KTPIRTTYPFSSPL-FQEVSTJZSA-N 1 1 454.571 3.877 20 5 JHBDMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164945857 721978624 /nfs/dbraw/zinc/97/86/24/721978624.db2.gz GRTXQBSUIUFJNF-UHFFFAOYSA-N 1 1 465.941 3.767 20 5 JHBDMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164945857 721978628 /nfs/dbraw/zinc/97/86/28/721978628.db2.gz GRTXQBSUIUFJNF-UHFFFAOYSA-N 1 1 465.941 3.767 20 5 JHBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982692 722111715 /nfs/dbraw/zinc/11/17/15/722111715.db2.gz XRYXEVLVHPMPLT-YLJYHZDGSA-N 1 1 453.930 3.919 20 5 JHBDMO CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001306682040 1069411772 /nfs/dbraw/zinc/41/17/72/1069411772.db2.gz AMUJPGASPSZDON-CRAIPNDOSA-N 1 1 470.496 3.741 20 5 JHBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001307555430 1070050451 /nfs/dbraw/zinc/05/04/51/1070050451.db2.gz BDLHYFHPBQJMBL-GOSISDBHSA-N 1 1 450.495 3.872 20 5 JHBDMO CCOCc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314344596 1070148952 /nfs/dbraw/zinc/14/89/52/1070148952.db2.gz DEYBXXWEAJGYHE-KDURUIRLSA-N 1 1 488.637 3.517 20 5 JHBDMO CCOCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001314392525 1070249260 /nfs/dbraw/zinc/24/92/60/1070249260.db2.gz ZXAPIFQKVMZCTB-HXUWFJFHSA-N 1 1 485.633 3.560 20 5 JHBDMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001309749407 1070952322 /nfs/dbraw/zinc/95/23/22/1070952322.db2.gz MXPBQYLJTXRYTG-LOSJGSFVSA-N 1 1 481.574 3.691 20 5 JHBDMO CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001313696426 1070963290 /nfs/dbraw/zinc/96/32/90/1070963290.db2.gz GZFXQDYLGMSVDQ-NHCUHLMSSA-N 1 1 499.660 3.663 20 5 JHBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CC=CCC1 ZINC001314833889 1071171390 /nfs/dbraw/zinc/17/13/90/1071171390.db2.gz OLKCNFAWRDXBJV-UHFFFAOYSA-N 1 1 452.584 3.779 20 5 JHBDMO CCn1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC001313837695 1071320253 /nfs/dbraw/zinc/32/02/53/1071320253.db2.gz ZAODQNCOZORLGV-IBGZPJMESA-N 1 1 466.590 3.971 20 5 JHBDMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313860569 1071370766 /nfs/dbraw/zinc/37/07/66/1071370766.db2.gz MCOFHTBBDRXQMX-BBTUJRGHSA-N 1 1 467.574 3.668 20 5 JHBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313860569 1071370781 /nfs/dbraw/zinc/37/07/81/1071370781.db2.gz MCOFHTBBDRXQMX-BBTUJRGHSA-N 1 1 467.574 3.668 20 5 JHBDMO CCc1nc(C)c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)o1 ZINC001306006193 1068384458 /nfs/dbraw/zinc/38/44/58/1068384458.db2.gz SUNSPXZPLRYMEQ-UHFFFAOYSA-N 1 1 497.600 3.555 20 5 JHBDMO CCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001306197744 1068589963 /nfs/dbraw/zinc/58/99/63/1068589963.db2.gz AQIHTYZJGOUWDG-UHFFFAOYSA-N 1 1 455.607 3.730 20 5 JHBDMO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001306264741 1068679009 /nfs/dbraw/zinc/67/90/09/1068679009.db2.gz QESYDBDQGRQFPF-NNMXDRDESA-N 1 1 456.591 3.979 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001306325397 1068762697 /nfs/dbraw/zinc/76/26/97/1068762697.db2.gz XTXJFGWEHAADJA-NHCUHLMSSA-N 1 1 456.591 3.634 20 5 JHBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306406644 1068877874 /nfs/dbraw/zinc/87/78/74/1068877874.db2.gz MZOPMDOSWCXOSL-GMAHTHKFSA-N 1 1 499.660 3.521 20 5 JHBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306406644 1068877879 /nfs/dbraw/zinc/87/78/79/1068877879.db2.gz MZOPMDOSWCXOSL-GMAHTHKFSA-N 1 1 499.660 3.521 20 5 JHBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852385 720855184 /nfs/dbraw/zinc/85/51/84/720855184.db2.gz COQMLMCIAGZNNS-QVKFZJNVSA-N 1 1 480.924 3.748 20 5 JHBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1-c1ccccc1 ZINC001164749325 720858106 /nfs/dbraw/zinc/85/81/06/720858106.db2.gz MZSBUHMFURYCHB-FDFHNCONSA-N 1 1 459.554 3.628 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750682 720880845 /nfs/dbraw/zinc/88/08/45/720880845.db2.gz JNDOYJYFVMISHU-VGSWGCGISA-N 1 1 493.395 3.842 20 5 JHBDMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)CC2 ZINC001164874851 721327626 /nfs/dbraw/zinc/32/76/26/721327626.db2.gz JWTNVSOAEAOGPR-UHFFFAOYSA-N 1 1 466.876 3.885 20 5 JHBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164889101 721451166 /nfs/dbraw/zinc/45/11/66/721451166.db2.gz NMPZPTPFGUWAAC-FDDCHVKYSA-N 1 1 459.978 3.562 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164790097 721469971 /nfs/dbraw/zinc/46/99/71/721469971.db2.gz QWIYRGJTZXWBIY-NRFANRHFSA-N 1 1 499.587 3.925 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)ccc1Cl ZINC001164982135 722151243 /nfs/dbraw/zinc/15/12/43/722151243.db2.gz RDWRKROPWWLBOG-AUSIDOKSSA-N 1 1 480.956 3.828 20 5 JHBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971209 722155757 /nfs/dbraw/zinc/15/57/57/722155757.db2.gz BCRSDJVNFPFCHF-AVRDEDQJSA-N 1 1 453.930 3.919 20 5 JHBDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001306725676 1069467082 /nfs/dbraw/zinc/46/70/82/1069467082.db2.gz GMHSYPSQNKTKSE-QFIPXVFZSA-N 1 1 484.649 3.761 20 5 JHBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001306786542 1069589341 /nfs/dbraw/zinc/58/93/41/1069589341.db2.gz VYHJLQBGHLPTTP-GOSISDBHSA-N 1 1 487.605 3.546 20 5 JHBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001306849946 1069659071 /nfs/dbraw/zinc/65/90/71/1069659071.db2.gz DRCOUZZDWPOHLV-AWEZNQCLSA-N 1 1 454.708 3.830 20 5 JHBDMO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994010 1069695748 /nfs/dbraw/zinc/69/57/48/1069695748.db2.gz NYUBAYQJTAYCSK-NQIIRXRSSA-N 1 1 458.584 3.933 20 5 JHBDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312063241 1069699723 /nfs/dbraw/zinc/69/97/23/1069699723.db2.gz IXEZIKFLKURQRV-RBBKRZOGSA-N 1 1 451.571 3.695 20 5 JHBDMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001307058445 1069839643 /nfs/dbraw/zinc/83/96/43/1069839643.db2.gz NGDNOCXGEPVUMM-UNMCSNQZSA-N 1 1 456.591 3.634 20 5 JHBDMO C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC001307120048 1069896127 /nfs/dbraw/zinc/89/61/27/1069896127.db2.gz KOKRPHDKTJRIIE-OAHLLOKOSA-N 1 1 457.474 3.847 20 5 JHBDMO C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001307120048 1069896151 /nfs/dbraw/zinc/89/61/51/1069896151.db2.gz KOKRPHDKTJRIIE-OAHLLOKOSA-N 1 1 457.474 3.847 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001307686256 1070125481 /nfs/dbraw/zinc/12/54/81/1070125481.db2.gz NJDQEKVIARPRBZ-GOSISDBHSA-N 1 1 450.536 3.509 20 5 JHBDMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)C1 ZINC001307826485 1070201763 /nfs/dbraw/zinc/20/17/63/1070201763.db2.gz FODJQSVWYAEHJV-DHIUTWEWSA-N 1 1 471.554 3.846 20 5 JHBDMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001313179068 1070283400 /nfs/dbraw/zinc/28/34/00/1070283400.db2.gz UOKFRGRXKZLMQZ-VWNXMTODSA-N 1 1 452.555 3.693 20 5 JHBDMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001313179068 1070283409 /nfs/dbraw/zinc/28/34/09/1070283409.db2.gz UOKFRGRXKZLMQZ-VWNXMTODSA-N 1 1 452.555 3.693 20 5 JHBDMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001313179062 1070283751 /nfs/dbraw/zinc/28/37/51/1070283751.db2.gz UOKFRGRXKZLMQZ-LADGPHEKSA-N 1 1 452.555 3.693 20 5 JHBDMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001313179062 1070283764 /nfs/dbraw/zinc/28/37/64/1070283764.db2.gz UOKFRGRXKZLMQZ-LADGPHEKSA-N 1 1 452.555 3.693 20 5 JHBDMO CCOC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001314432113 1070316328 /nfs/dbraw/zinc/31/63/28/1070316328.db2.gz BRRQOKVGBMRYHJ-UXHICEINSA-N 1 1 456.591 3.981 20 5 JHBDMO CCOCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001314496586 1070416985 /nfs/dbraw/zinc/41/69/85/1070416985.db2.gz JYEZNKYLBQFEPN-UHFFFAOYSA-N 1 1 485.614 3.640 20 5 JHBDMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001309364523 1070726054 /nfs/dbraw/zinc/72/60/54/1070726054.db2.gz ZPELLKGNSKLUTI-JXFKEZNVSA-N 1 1 455.939 3.542 20 5 JHBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001309364523 1070726069 /nfs/dbraw/zinc/72/60/69/1070726069.db2.gz ZPELLKGNSKLUTI-JXFKEZNVSA-N 1 1 455.939 3.542 20 5 JHBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001310159604 1071164201 /nfs/dbraw/zinc/16/42/01/1071164201.db2.gz ISCVCNRPLYNOKH-KRWDZBQOSA-N 1 1 450.442 3.609 20 5 JHBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313860980 1071371917 /nfs/dbraw/zinc/37/19/17/1071371917.db2.gz NWYWRTXKMFOTEX-BZSNNMDCSA-N 1 1 495.550 3.656 20 5 JHBDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001313912630 1071540628 /nfs/dbraw/zinc/54/06/28/1071540628.db2.gz VNNPSZNWUKVOLT-OAQYLSRUSA-N 1 1 451.575 3.745 20 5 JHBDMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC001313925813 1071574847 /nfs/dbraw/zinc/57/48/47/1071574847.db2.gz AZBJGEMZVZCZNP-IBGZPJMESA-N 1 1 455.607 3.505 20 5 JHBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313934002 1071600352 /nfs/dbraw/zinc/60/03/52/1071600352.db2.gz RBKCTTZLAUWRAD-MSOLQXFVSA-N 1 1 487.605 3.545 20 5 JHBDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2scnc2C)CC1 ZINC001313949044 1071635210 /nfs/dbraw/zinc/63/52/10/1071635210.db2.gz GZTHWUKIIKUMBT-GOSISDBHSA-N 1 1 498.657 3.528 20 5 JHBDMO CCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001306198651 1068591086 /nfs/dbraw/zinc/59/10/86/1068591086.db2.gz NDDJYBTVSIOXLC-FQEVSTJZSA-N 1 1 455.607 3.587 20 5 JHBDMO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001306264740 1068678866 /nfs/dbraw/zinc/67/88/66/1068678866.db2.gz QESYDBDQGRQFPF-CNNODRBYSA-N 1 1 456.591 3.979 20 5 JHBDMO CC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306328465 1068767380 /nfs/dbraw/zinc/76/73/80/1068767380.db2.gz JDFRDXNXIANOOV-UXHICEINSA-N 1 1 455.607 3.506 20 5 JHBDMO CC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306328463 1068767465 /nfs/dbraw/zinc/76/74/65/1068767465.db2.gz JDFRDXNXIANOOV-PMACEKPBSA-N 1 1 455.607 3.506 20 5 JHBDMO CCC(CC)[C@@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[NH+]1CCOCC1 ZINC001310660138 1069093436 /nfs/dbraw/zinc/09/34/36/1069093436.db2.gz ACQNUMCUWYXGPO-GOSISDBHSA-N 1 1 457.369 3.924 20 5 JHBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164715531 720107866 /nfs/dbraw/zinc/10/78/66/720107866.db2.gz HHFWSSLHHQVONW-OAHLLOKOSA-N 1 1 467.357 3.594 20 5 JHBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164818796 720188226 /nfs/dbraw/zinc/18/82/26/720188226.db2.gz UQTFSVKROBPTRT-MBSDFSHPSA-N 1 1 457.962 3.890 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]21 ZINC001164836007 720527214 /nfs/dbraw/zinc/52/72/14/720527214.db2.gz LMXJMESHQIUAIV-HFTRVMKXSA-N 1 1 454.909 3.762 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)ccc1Cl ZINC001164744802 720854733 /nfs/dbraw/zinc/85/47/33/720854733.db2.gz CKFOMFUWJUZZHL-CNNODRBYSA-N 1 1 494.987 3.676 20 5 JHBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755464 720871614 /nfs/dbraw/zinc/87/16/14/720871614.db2.gz XJZXILJPDWNYBF-AUSIDOKSSA-N 1 1 457.962 3.793 20 5 JHBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758185 720884168 /nfs/dbraw/zinc/88/41/68/720884168.db2.gz XNFXOAXMYYUEPJ-WMZHIEFXSA-N 1 1 457.962 3.793 20 5 JHBDMO Cc1c(C)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164753460 720894098 /nfs/dbraw/zinc/89/40/98/720894098.db2.gz GWRVMZMGRVXJKR-RCZVLFRGSA-N 1 1 451.571 3.757 20 5 JHBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164890783 721435710 /nfs/dbraw/zinc/43/57/10/721435710.db2.gz FSBCNRPVGLBOOD-WZONZLPQSA-N 1 1 459.978 3.562 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164783321 721455655 /nfs/dbraw/zinc/45/56/55/721455655.db2.gz BLKLNMMFLFKKRS-GOSISDBHSA-N 1 1 488.963 3.922 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164790113 721466929 /nfs/dbraw/zinc/46/69/29/721466929.db2.gz QZZDYBJYWIHNEL-QHCPKHFHSA-N 1 1 481.597 3.786 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)ccc1F ZINC001164903501 721562199 /nfs/dbraw/zinc/56/21/99/721562199.db2.gz BOWYPXFRWCDTBJ-HKUYNNGSSA-N 1 1 453.449 3.672 20 5 JHBDMO Cc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)cc1[N+](=O)[O-] ZINC001164960717 722058515 /nfs/dbraw/zinc/05/85/15/722058515.db2.gz JCUKIDRZGBQAIV-UHFFFAOYSA-N 1 1 474.565 3.874 20 5 JHBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001311686795 1069503210 /nfs/dbraw/zinc/50/32/10/1069503210.db2.gz ALRPAZZBICUDNV-HZPDHXFCSA-N 1 1 457.497 3.566 20 5 JHBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC001306955907 1069688961 /nfs/dbraw/zinc/68/89/61/1069688961.db2.gz PQIZUDFEQKMYDL-UHFFFAOYSA-N 1 1 453.511 3.940 20 5 JHBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001307057079 1069832483 /nfs/dbraw/zinc/83/24/83/1069832483.db2.gz VKGMNXCLLUYVGP-IFMALSPDSA-N 1 1 483.617 3.613 20 5 JHBDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001307058444 1069839286 /nfs/dbraw/zinc/83/92/86/1069839286.db2.gz NGDNOCXGEPVUMM-RBBKRZOGSA-N 1 1 456.591 3.634 20 5 JHBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001307105170 1069891287 /nfs/dbraw/zinc/89/12/87/1069891287.db2.gz VALCBGMHHSNMTM-MRXNPFEDSA-N 1 1 452.296 3.979 20 5 JHBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001307105170 1069891309 /nfs/dbraw/zinc/89/13/09/1069891309.db2.gz VALCBGMHHSNMTM-MRXNPFEDSA-N 1 1 452.296 3.979 20 5 JHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001307501766 1070020139 /nfs/dbraw/zinc/02/01/39/1070020139.db2.gz YNHDNWRGRIHKAF-ZDUSSCGKSA-N 1 1 452.271 3.980 20 5 JHBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001307501766 1070020150 /nfs/dbraw/zinc/02/01/50/1070020150.db2.gz YNHDNWRGRIHKAF-ZDUSSCGKSA-N 1 1 452.271 3.980 20 5 JHBDMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001313179059 1070283486 /nfs/dbraw/zinc/28/34/86/1070283486.db2.gz UOKFRGRXKZLMQZ-ISKFKSNPSA-N 1 1 452.555 3.693 20 5 JHBDMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001313179059 1070283492 /nfs/dbraw/zinc/28/34/92/1070283492.db2.gz UOKFRGRXKZLMQZ-ISKFKSNPSA-N 1 1 452.555 3.693 20 5 JHBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001308031805 1070287384 /nfs/dbraw/zinc/28/73/84/1070287384.db2.gz RMHSUMQWKZNRPJ-NBGIEHNGSA-N 1 1 452.555 3.597 20 5 JHBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001313366829 1070338401 /nfs/dbraw/zinc/33/84/01/1070338401.db2.gz RGQGVVXDSSNRDW-LOSJGSFVSA-N 1 1 459.550 3.974 20 5 JHBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362701 1070361621 /nfs/dbraw/zinc/36/16/21/1070361621.db2.gz DSTYDPIYJXQJIA-AUUYWEPGSA-N 1 1 451.308 3.810 20 5 JHBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362701 1070361639 /nfs/dbraw/zinc/36/16/39/1070361639.db2.gz DSTYDPIYJXQJIA-AUUYWEPGSA-N 1 1 451.308 3.810 20 5 JHBDMO CC[N@@H+](CCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC001313813098 1071253632 /nfs/dbraw/zinc/25/36/32/1071253632.db2.gz DXVNZEMDGLATDT-UHFFFAOYSA-N 1 1 455.607 3.901 20 5 JHBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@H]1C ZINC001313860204 1071367347 /nfs/dbraw/zinc/36/73/47/1071367347.db2.gz KKWNKDLGLMFMSY-MOPGFXCFSA-N 1 1 456.591 3.979 20 5 JHBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313860981 1071371696 /nfs/dbraw/zinc/37/16/96/1071371696.db2.gz NWYWRTXKMFOTEX-FGTMMUONSA-N 1 1 495.550 3.656 20 5 JHBDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313922524 1071565047 /nfs/dbraw/zinc/56/50/47/1071565047.db2.gz WXEWGZCFSTYQCB-CEXWTWQISA-N 1 1 491.587 3.607 20 5 JHBDMO CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCC[NH+]2CCCC2)C[C@@H]1C ZINC001313935103 1071604815 /nfs/dbraw/zinc/60/48/15/1071604815.db2.gz WLMGZPRDLGUJNE-FQEVSTJZSA-N 1 1 455.607 3.650 20 5 JHBDMO CC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001306328466 1068767438 /nfs/dbraw/zinc/76/74/38/1068767438.db2.gz JDFRDXNXIANOOV-VQTJNVASSA-N 1 1 455.607 3.506 20 5 JHBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306406642 1068878016 /nfs/dbraw/zinc/87/80/16/1068878016.db2.gz MZOPMDOSWCXOSL-FYYLOGMGSA-N 1 1 499.660 3.521 20 5 JHBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306406642 1068878022 /nfs/dbraw/zinc/87/80/22/1068878022.db2.gz MZOPMDOSWCXOSL-FYYLOGMGSA-N 1 1 499.660 3.521 20 5 JHBDMO CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCSC2)CC[N@H+]1CCOC ZINC001306616195 1069297610 /nfs/dbraw/zinc/29/76/10/1069297610.db2.gz FMXXUSZEQOLFQH-WIYYLYMNSA-N 1 1 474.631 3.544 20 5 JHBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164818791 720188421 /nfs/dbraw/zinc/18/84/21/720188421.db2.gz UQTFSVKROBPTRT-FDDCHVKYSA-N 1 1 457.962 3.890 20 5 JHBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838577 720524889 /nfs/dbraw/zinc/52/48/89/720524889.db2.gz RRQALQIVXWIOTA-OXFYSEKESA-N 1 1 455.950 3.766 20 5 JHBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740143 720697276 /nfs/dbraw/zinc/69/72/76/720697276.db2.gz QHSQVIRUQOZKDV-HOCLYGCPSA-N 1 1 486.891 3.707 20 5 JHBDMO Cc1c(C)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164753463 720893987 /nfs/dbraw/zinc/89/39/87/720893987.db2.gz GWRVMZMGRVXJKR-RDGATRHJSA-N 1 1 451.571 3.757 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC001164783122 721359006 /nfs/dbraw/zinc/35/90/06/721359006.db2.gz PICIPUGNKGXWFT-XMMPIXPASA-N 1 1 451.527 3.867 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC001164783122 721359009 /nfs/dbraw/zinc/35/90/09/721359009.db2.gz PICIPUGNKGXWFT-XMMPIXPASA-N 1 1 451.527 3.867 20 5 JHBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164890781 721435749 /nfs/dbraw/zinc/43/57/49/721435749.db2.gz FSBCNRPVGLBOOD-JPYJTQIMSA-N 1 1 459.978 3.562 20 5 JHBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164892071 721450874 /nfs/dbraw/zinc/45/08/74/721450874.db2.gz WOSFPJWIXUNTHO-BWKNWUBXSA-N 1 1 469.561 3.561 20 5 JHBDMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164808862 721582141 /nfs/dbraw/zinc/58/21/41/721582141.db2.gz QZCHDAWSZRLCMD-FIXSFTCYSA-N 1 1 460.538 3.623 20 5 JHBDMO CN(C)/C=C/c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907383 721722610 /nfs/dbraw/zinc/72/26/10/721722610.db2.gz RJNZWMZVAYMEPB-FLVSMNSFSA-N 1 1 458.513 3.655 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025919 721802800 /nfs/dbraw/zinc/80/28/00/721802800.db2.gz PVOQJWWMDQYCJM-SNRMKQJTSA-N 1 1 473.961 3.952 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164937609 721922060 /nfs/dbraw/zinc/92/20/60/721922060.db2.gz FAYPRSXAAOWBOM-UHFFFAOYSA-N 1 1 488.972 4.000 20 5 JHBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164977074 722142420 /nfs/dbraw/zinc/14/24/20/722142420.db2.gz ILVQTCDJLUVMFM-VGSWGCGISA-N 1 1 453.930 3.919 20 5 JHBDMO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC001307120047 1069896233 /nfs/dbraw/zinc/89/62/33/1069896233.db2.gz KOKRPHDKTJRIIE-HNNXBMFYSA-N 1 1 457.474 3.847 20 5 JHBDMO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001307120047 1069896257 /nfs/dbraw/zinc/89/62/57/1069896257.db2.gz KOKRPHDKTJRIIE-HNNXBMFYSA-N 1 1 457.474 3.847 20 5 JHBDMO Cn1nc(CCC[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1-c1ccc(F)cc1 ZINC001307554048 1070048713 /nfs/dbraw/zinc/04/87/13/1070048713.db2.gz ZYYXJBIFKKWRID-UHFFFAOYSA-N 1 1 451.502 3.588 20 5 JHBDMO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001307622940 1070085535 /nfs/dbraw/zinc/08/55/35/1070085535.db2.gz GYKIDAWEUZKRHP-RYUDHWBXSA-N 1 1 450.289 3.806 20 5 JHBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307648924 1070100870 /nfs/dbraw/zinc/10/08/70/1070100870.db2.gz CPDHRCQXMHHYQZ-DOTOQJQBSA-N 1 1 450.536 3.557 20 5 JHBDMO Cc1cc(I)ccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001307800590 1070187900 /nfs/dbraw/zinc/18/79/00/1070187900.db2.gz IZXDLTFCRVALAE-UHFFFAOYSA-N 1 1 453.280 3.971 20 5 JHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001307900078 1070231797 /nfs/dbraw/zinc/23/17/97/1070231797.db2.gz IYAAWCODQNSGJY-YJBOKZPZSA-N 1 1 450.536 3.557 20 5 JHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001307900078 1070231804 /nfs/dbraw/zinc/23/18/04/1070231804.db2.gz IYAAWCODQNSGJY-YJBOKZPZSA-N 1 1 450.536 3.557 20 5 JHBDMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001307969612 1070262902 /nfs/dbraw/zinc/26/29/02/1070262902.db2.gz OZSAIYGAWKZKNG-ZDUSSCGKSA-N 1 1 457.234 3.658 20 5 JHBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC([N@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001307974936 1070265733 /nfs/dbraw/zinc/26/57/33/1070265733.db2.gz DYGGITPPPORODR-XMMPIXPASA-N 1 1 452.555 3.770 20 5 JHBDMO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001307968662 1070263459 /nfs/dbraw/zinc/26/34/59/1070263459.db2.gz XZYVTJMNYHBOIV-SFHVURJKSA-N 1 1 454.502 3.744 20 5 JHBDMO 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COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1c1ccc(F)cc1F ZINC001307862031 1070214731 /nfs/dbraw/zinc/21/47/31/1070214731.db2.gz UXVKZKVIMXDTIS-UYHISHBKSA-N 1 1 458.421 3.873 20 5 JHBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1c1ccc(F)cc1F ZINC001307862031 1070214738 /nfs/dbraw/zinc/21/47/38/1070214738.db2.gz UXVKZKVIMXDTIS-UYHISHBKSA-N 1 1 458.421 3.873 20 5 JHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001307900068 1070231560 /nfs/dbraw/zinc/23/15/60/1070231560.db2.gz IYAAWCODQNSGJY-CRAIPNDOSA-N 1 1 450.536 3.557 20 5 JHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001307900068 1070231575 /nfs/dbraw/zinc/23/15/75/1070231575.db2.gz IYAAWCODQNSGJY-CRAIPNDOSA-N 1 1 450.536 3.557 20 5 JHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)O1 ZINC001308031687 1070286592 /nfs/dbraw/zinc/28/65/92/1070286592.db2.gz ORUUVNBRATUSNW-SBUREZEXSA-N 1 1 458.946 3.552 20 5 JHBDMO CCOC[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001314432116 1070316432 /nfs/dbraw/zinc/31/64/32/1070316432.db2.gz BRRQOKVGBMRYHJ-VQTJNVASSA-N 1 1 456.591 3.981 20 5 JHBDMO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1Cl ZINC001309073468 1070523647 /nfs/dbraw/zinc/52/36/47/1070523647.db2.gz UJSBSZKCAICYCC-UHFFFAOYSA-N 1 1 453.923 3.599 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1C ZINC001309191144 1070594741 /nfs/dbraw/zinc/59/47/41/1070594741.db2.gz QTYUDYKRZPIRQD-KRWDZBQOSA-N 1 1 457.474 3.783 20 5 JHBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1C ZINC001309191144 1070594755 /nfs/dbraw/zinc/59/47/55/1070594755.db2.gz QTYUDYKRZPIRQD-KRWDZBQOSA-N 1 1 457.474 3.783 20 5 JHBDMO CN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001314669774 1070809646 /nfs/dbraw/zinc/80/96/46/1070809646.db2.gz LBLURLWYMHYUDF-UHFFFAOYSA-N 1 1 483.642 3.825 20 5 JHBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001309646067 1070900293 /nfs/dbraw/zinc/90/02/93/1070900293.db2.gz FKWGVKSXEZKJMR-QAPCUYQASA-N 1 1 466.357 3.662 20 5 JHBDMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001309749033 1070952576 /nfs/dbraw/zinc/95/25/76/1070952576.db2.gz FHDNHAAINRDYBX-LOSJGSFVSA-N 1 1 481.574 3.691 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)C1CC1 ZINC001313804951 1071218235 /nfs/dbraw/zinc/21/82/35/1071218235.db2.gz GXKVGRBLXIWBGB-UHFFFAOYSA-N 1 1 492.506 3.726 20 5 JHBDMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313910302 1071535349 /nfs/dbraw/zinc/53/53/49/1071535349.db2.gz FSQLSEKCMRSCOU-IRLDBZIGSA-N 1 1 456.591 3.980 20 5 JHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)[NH+]1CCN(CC)CC1)C1CCCC1 ZINC001313921322 1071561225 /nfs/dbraw/zinc/56/12/25/1071561225.db2.gz PRNJZVPEYWFWMB-IBGZPJMESA-N 1 1 455.607 3.648 20 5 JHBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313934305 1071601919 /nfs/dbraw/zinc/60/19/19/1071601919.db2.gz TWKIVHBIYJFRDL-QGZVFWFLSA-N 1 1 487.605 3.687 20 5 JHBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306405289 1068872519 /nfs/dbraw/zinc/87/25/19/1068872519.db2.gz CQZWJANBFWUPJX-CNNODRBYSA-N 1 1 486.617 3.604 20 5 JHBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2C[C@H](F)C2)CC[N@H+]1CCOC ZINC001306405942 1068875118 /nfs/dbraw/zinc/87/51/18/1068875118.db2.gz IKMAJSCHRRMXQQ-MISYRCLQSA-N 1 1 460.554 3.539 20 5 JHBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001310659530 1069093020 /nfs/dbraw/zinc/09/30/20/1069093020.db2.gz DLKVBCAOOXECAV-CZUORRHYSA-N 1 1 457.369 3.924 20 5 JHBDMO CSc1nc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164698307 719893600 /nfs/dbraw/zinc/89/36/00/719893600.db2.gz RGVRPSXNTIWOEG-UHFFFAOYSA-N 1 1 455.993 3.693 20 5 JHBDMO CSc1nc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164698307 719893604 /nfs/dbraw/zinc/89/36/04/719893604.db2.gz RGVRPSXNTIWOEG-UHFFFAOYSA-N 1 1 455.993 3.693 20 5 JHBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164710819 720148336 /nfs/dbraw/zinc/14/83/36/720148336.db2.gz DDSZSUFDJZNKCU-OAQYLSRUSA-N 1 1 474.565 3.954 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC001164838582 720524832 /nfs/dbraw/zinc/52/48/32/720524832.db2.gz RRQALQIVXWIOTA-SYNHAJSKSA-N 1 1 455.950 3.766 20 5 JHBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758183 720884438 /nfs/dbraw/zinc/88/44/38/720884438.db2.gz XNFXOAXMYYUEPJ-AUSIDOKSSA-N 1 1 457.962 3.793 20 5 JHBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164754487 720895864 /nfs/dbraw/zinc/89/58/64/720895864.db2.gz JCJZQYKRYYECLC-CJFMBICVSA-N 1 1 462.554 3.621 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164788699 721450900 /nfs/dbraw/zinc/45/09/00/721450900.db2.gz SQMQVWYVNOZIHB-GOSISDBHSA-N 1 1 488.963 3.922 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905438 721586096 /nfs/dbraw/zinc/58/60/96/721586096.db2.gz JENWIIQVEBQJLI-NRFANRHFSA-N 1 1 495.914 3.953 20 5 JHBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164811943 721586734 /nfs/dbraw/zinc/58/67/34/721586734.db2.gz ZCPSYYFZSBADDA-KIFXHHALSA-N 1 1 480.956 3.968 20 5 JHBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164811943 721586738 /nfs/dbraw/zinc/58/67/38/721586738.db2.gz ZCPSYYFZSBADDA-KIFXHHALSA-N 1 1 480.956 3.968 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906259 721695771 /nfs/dbraw/zinc/69/57/71/721695771.db2.gz MQGIHMDNFJVAPV-QGZVFWFLSA-N 1 1 459.284 3.824 20 5 JHBDMO CSc1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164907729 721708075 /nfs/dbraw/zinc/70/80/75/721708075.db2.gz SYBBBKBYUXJUHP-SFHVURJKSA-N 1 1 470.933 3.893 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021360 721838632 /nfs/dbraw/zinc/83/86/32/721838632.db2.gz MBGQEGCISYALDJ-UHFFFAOYSA-N 1 1 492.960 3.938 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)cc1[N+](=O)[O-] ZINC001164967191 722075665 /nfs/dbraw/zinc/07/56/65/722075665.db2.gz NEPCFPKZHPUDKT-HDICACEKSA-N 1 1 451.552 3.874 20 5 JHBDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001307033949 1069749685 /nfs/dbraw/zinc/74/96/85/1069749685.db2.gz GDJIQCKQEZBRTC-IBGZPJMESA-N 1 1 451.575 3.603 20 5 JHBDMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)CC)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001307037944 1069760039 /nfs/dbraw/zinc/76/00/39/1069760039.db2.gz XXDLNFBEUDJHPF-PMACEKPBSA-N 1 1 455.607 3.758 20 5 JHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)cc1C ZINC001307195440 1069906361 /nfs/dbraw/zinc/90/63/61/1069906361.db2.gz JHHQMHZJQGKMDR-KBMIEXCESA-N 1 1 453.539 3.950 20 5 JHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)cc1C ZINC001307195438 1069906459 /nfs/dbraw/zinc/90/64/59/1069906459.db2.gz JHHQMHZJQGKMDR-DFBJGRDBSA-N 1 1 453.539 3.950 20 5 JHBDMO COc1cc(N[C@H]2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc(OC)c1 ZINC001307543911 1070043490 /nfs/dbraw/zinc/04/34/90/1070043490.db2.gz QQWDIYCQPYSISK-INIZCTEOSA-N 1 1 458.515 3.526 20 5 JHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c([N+](=O)[O-])c1 ZINC001307630481 1070089219 /nfs/dbraw/zinc/08/92/19/1070089219.db2.gz YZOYHRFJHQGZGS-QGZVFWFLSA-N 1 1 456.547 3.977 20 5 JHBDMO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC001307630481 1070089233 /nfs/dbraw/zinc/08/92/33/1070089233.db2.gz YZOYHRFJHQGZGS-QGZVFWFLSA-N 1 1 456.547 3.977 20 5 JHBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC001307630481 1070089249 /nfs/dbraw/zinc/08/92/49/1070089249.db2.gz YZOYHRFJHQGZGS-QGZVFWFLSA-N 1 1 456.547 3.977 20 5 JHBDMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001307680968 1070122091 /nfs/dbraw/zinc/12/20/91/1070122091.db2.gz LNMPUJSUXBDZSE-XMMPIXPASA-N 1 1 455.511 3.572 20 5 JHBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC001308126649 1070323001 /nfs/dbraw/zinc/32/30/01/1070323001.db2.gz XYTUGGDXLYXQCE-AZUAARDMSA-N 1 1 458.902 3.748 20 5 JHBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001313449627 1070374675 /nfs/dbraw/zinc/37/46/75/1070374675.db2.gz YPZUKCMIWKNNCH-QFIPXVFZSA-N 1 1 499.616 3.785 20 5 JHBDMO CCOCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(CC)s2)CC1 ZINC001314495749 1070415497 /nfs/dbraw/zinc/41/54/97/1070415497.db2.gz CDMALFFXTKKYIV-UHFFFAOYSA-N 1 1 470.599 3.684 20 5 JHBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC001309549233 1070848524 /nfs/dbraw/zinc/84/85/24/1070848524.db2.gz SZCSCAPZLIVXGN-FQEVSTJZSA-N 1 1 455.964 3.925 20 5 JHBDMO O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001309756317 1070955801 /nfs/dbraw/zinc/95/58/01/1070955801.db2.gz DWXRVZZLCCSQNZ-IBGZPJMESA-N 1 1 454.552 3.866 20 5 JHBDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001313894788 1071494101 /nfs/dbraw/zinc/49/41/01/1071494101.db2.gz COVPDKMASSFSEL-OAQYLSRUSA-N 1 1 464.574 3.887 20 5 JHBDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313919716 1071557692 /nfs/dbraw/zinc/55/76/92/1071557692.db2.gz FRRSXQOWIOAKIS-UXHICEINSA-N 1 1 469.634 3.752 20 5 JHBDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313921853 1071562322 /nfs/dbraw/zinc/56/23/22/1071562322.db2.gz SZZZSVTWKXKWFL-RBUKOAKNSA-N 1 1 498.657 3.576 20 5 JHBDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313921847 1071562374 /nfs/dbraw/zinc/56/23/74/1071562374.db2.gz SZZZSVTWKXKWFL-MOPGFXCFSA-N 1 1 498.657 3.576 20 5 JHBDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834006 720510580 /nfs/dbraw/zinc/51/05/80/720510580.db2.gz FCTFGNOSZXUAFG-HYVNUMGLSA-N 1 1 454.909 3.762 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@@H]21 ZINC001164835565 720629741 /nfs/dbraw/zinc/62/97/41/720629741.db2.gz BGXDLHKGKMYGHH-IPJJNNNSSA-N 1 1 465.533 3.765 20 5 JHBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1-c1ccc(F)cc1 ZINC001164748728 720859195 /nfs/dbraw/zinc/85/91/95/720859195.db2.gz LVWNJCAVQBEFIL-ILWGZMRPSA-N 1 1 477.544 3.767 20 5 JHBDMO O=[N+]([O-])c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc2c1 ZINC001164748427 720878312 /nfs/dbraw/zinc/87/83/12/720878312.db2.gz DTDHBLOVRGWZHZ-RLWLMLJZSA-N 1 1 474.565 3.688 20 5 JHBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884522 721419078 /nfs/dbraw/zinc/41/90/78/721419078.db2.gz DPFVKNZZTFUCQL-HXOBKFHXSA-N 1 1 459.978 3.562 20 5 JHBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164788511 721462966 /nfs/dbraw/zinc/46/29/66/721462966.db2.gz SZSMMEAYOOXICU-OAQYLSRUSA-N 1 1 454.571 3.877 20 5 JHBDMO Cc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001164808819 721569583 /nfs/dbraw/zinc/56/95/83/721569583.db2.gz VVEARVPNCGGRFN-UMXIMWEHSA-N 1 1 460.538 3.623 20 5 JHBDMO Cc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001164808819 721569586 /nfs/dbraw/zinc/56/95/86/721569586.db2.gz VVEARVPNCGGRFN-UMXIMWEHSA-N 1 1 460.538 3.623 20 5 JHBDMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164808860 721582408 /nfs/dbraw/zinc/58/24/08/721582408.db2.gz QZCHDAWSZRLCMD-AOHZBQACSA-N 1 1 460.538 3.623 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905441 721586123 /nfs/dbraw/zinc/58/61/23/721586123.db2.gz JENWIIQVEBQJLI-OAQYLSRUSA-N 1 1 495.914 3.953 20 5 JHBDMO CSc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164907727 721708060 /nfs/dbraw/zinc/70/80/60/721708060.db2.gz SYBBBKBYUXJUHP-GOSISDBHSA-N 1 1 470.933 3.893 20 5 JHBDMO CN(C)/C=C\c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907384 721722558 /nfs/dbraw/zinc/72/25/58/721722558.db2.gz RJNZWMZVAYMEPB-LPLSSMDUSA-N 1 1 458.513 3.655 20 5 JHBDMO CSc1nc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164910132 721756169 /nfs/dbraw/zinc/75/61/69/721756169.db2.gz NUVNRMFYEPBDEV-UHFFFAOYSA-N 1 1 460.947 3.943 20 5 JHBDMO CSc1nc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164910132 721756171 /nfs/dbraw/zinc/75/61/71/721756171.db2.gz NUVNRMFYEPBDEV-UHFFFAOYSA-N 1 1 460.947 3.943 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025917 721802880 /nfs/dbraw/zinc/80/28/80/721802880.db2.gz PVOQJWWMDQYCJM-KFKAGJAMSA-N 1 1 473.961 3.952 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)n2)cc1[N+](=O)[O-] ZINC001164932302 721880071 /nfs/dbraw/zinc/88/00/71/721880071.db2.gz IMHFQXDOZSIWFR-MOPGFXCFSA-N 1 1 452.584 3.790 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC001164932302 721880072 /nfs/dbraw/zinc/88/00/72/721880072.db2.gz IMHFQXDOZSIWFR-MOPGFXCFSA-N 1 1 452.584 3.790 20 5 JHBDMO CCOC(=O)c1nc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164995633 722192519 /nfs/dbraw/zinc/19/25/19/722192519.db2.gz WGMBDIQPDOBMPH-OAQYLSRUSA-N 1 1 463.897 3.599 20 5 JHBDMO CCOC(=O)c1nc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164995633 722192520 /nfs/dbraw/zinc/19/25/20/722192520.db2.gz WGMBDIQPDOBMPH-OAQYLSRUSA-N 1 1 463.897 3.599 20 5 JHBDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001306725675 1069466352 /nfs/dbraw/zinc/46/63/52/1069466352.db2.gz GMHSYPSQNKTKSE-JOCHJYFZSA-N 1 1 484.649 3.761 20 5 JHBDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001307033202 1069747761 /nfs/dbraw/zinc/74/77/61/1069747761.db2.gz JOTMMKXYRGEFOJ-HXUWFJFHSA-N 1 1 497.644 3.668 20 5 JHBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C[C@H](O)CC3(O)CCCCC3)CC2)s1 ZINC001307416322 1069974264 /nfs/dbraw/zinc/97/42/64/1069974264.db2.gz GQRLBLMTCNRPKY-LJQANCHMSA-N 1 1 459.612 3.887 20 5 JHBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C[C@H](O)CC3(O)CCCCC3)CC2)s1 ZINC001307416322 1069974275 /nfs/dbraw/zinc/97/42/75/1069974275.db2.gz GQRLBLMTCNRPKY-LJQANCHMSA-N 1 1 459.612 3.887 20 5 JHBDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@@H]12 ZINC001307576691 1070061360 /nfs/dbraw/zinc/06/13/60/1070061360.db2.gz OCANYOZOGURLTQ-PSOAEZCFSA-N 1 1 456.587 3.668 20 5 JHBDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001307680967 1070122123 /nfs/dbraw/zinc/12/21/23/1070122123.db2.gz LNMPUJSUXBDZSE-DEOSSOPVSA-N 1 1 455.511 3.572 20 5 JHBDMO Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC001307885368 1070225312 /nfs/dbraw/zinc/22/53/12/1070225312.db2.gz OGRQBLHOOYXEAP-WSTZPKSXSA-N 1 1 454.571 3.971 20 5 JHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)O1 ZINC001308031685 1070286510 /nfs/dbraw/zinc/28/65/10/1070286510.db2.gz ORUUVNBRATUSNW-GAJHUEQPSA-N 1 1 458.946 3.552 20 5 JHBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001309260289 1070652350 /nfs/dbraw/zinc/65/23/50/1070652350.db2.gz CNADHBCAKPRBLS-YOEHRIQHSA-N 1 1 457.474 3.945 20 5 JHBDMO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309767421 1070960092 /nfs/dbraw/zinc/96/00/92/1070960092.db2.gz KSXLGCKODAUBSZ-WMLDXEAASA-N 1 1 457.474 3.803 20 5 JHBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309767421 1070960097 /nfs/dbraw/zinc/96/00/97/1070960097.db2.gz KSXLGCKODAUBSZ-WMLDXEAASA-N 1 1 457.474 3.803 20 5 JHBDMO C[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC001314858828 1071245601 /nfs/dbraw/zinc/24/56/01/1071245601.db2.gz RKRCDRYUPZUQLW-LJQANCHMSA-N 1 1 482.507 3.885 20 5 JHBDMO C[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC001314858826 1071245738 /nfs/dbraw/zinc/24/57/38/1071245738.db2.gz RKRCDRYUPZUQLW-IBGZPJMESA-N 1 1 482.507 3.885 20 5 JHBDMO CCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC001313843235 1071329784 /nfs/dbraw/zinc/32/97/84/1071329784.db2.gz ODJHPNVEITUKSK-UHFFFAOYSA-N 1 1 466.590 3.675 20 5 JHBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC001310469587 1071411146 /nfs/dbraw/zinc/41/11/46/1071411146.db2.gz DRNIAXFNWFADHC-OAHLLOKOSA-N 1 1 451.449 3.946 20 5 JHBDMO COc1ccc(NC(=O)N(C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1[N+](=O)[O-] ZINC001310466636 1071408200 /nfs/dbraw/zinc/40/82/00/1071408200.db2.gz WFKMUMODCRCNAU-UHFFFAOYSA-N 1 1 457.531 3.752 20 5 JHBDMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001313953065 1071647679 /nfs/dbraw/zinc/64/76/79/1071647679.db2.gz AOTWNBDSSOQTST-UHFFFAOYSA-N 1 1 483.661 3.755 20 5 JHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CC[NH+](CC)CC1)C1CCCC1 ZINC001313957506 1071660795 /nfs/dbraw/zinc/66/07/95/1071660795.db2.gz HULVJEMJICMECQ-UHFFFAOYSA-N 1 1 455.607 3.650 20 5 JHBDMO CC[NH+]1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313957870 1071661917 /nfs/dbraw/zinc/66/19/17/1071661917.db2.gz LLMLUVFDRPHFSH-UHFFFAOYSA-N 1 1 455.607 3.507 20 5 JHBDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306319395 1068745402 /nfs/dbraw/zinc/74/54/02/1068745402.db2.gz LAVQSSYBCNBLPZ-NRFANRHFSA-N 1 1 483.617 3.565 20 5 JHBDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001306320090 1068747230 /nfs/dbraw/zinc/74/72/30/1068747230.db2.gz PITDUUGCRJKMHL-IRLDBZIGSA-N 1 1 456.591 3.979 20 5 JHBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2csc(C)c2)CC[N@H+]1CCOC ZINC001306406773 1068878958 /nfs/dbraw/zinc/87/89/58/1068878958.db2.gz OJWFSFHGHPVEHR-HXUWFJFHSA-N 1 1 470.599 3.819 20 5 JHBDMO CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2sc(C)nc2C)CC[N@H+]1CCOC ZINC001306618090 1069300126 /nfs/dbraw/zinc/30/01/26/1069300126.db2.gz QQKDDSZMMMDRGR-NRFANRHFSA-N 1 1 499.641 3.912 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001164834009 720509988 /nfs/dbraw/zinc/50/99/88/720509988.db2.gz FCTFGNOSZXUAFG-XIRDDKMYSA-N 1 1 454.909 3.762 20 5 JHBDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834004 720510066 /nfs/dbraw/zinc/51/00/66/720510066.db2.gz FCTFGNOSZXUAFG-BHYGNILZSA-N 1 1 454.909 3.762 20 5 JHBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755758 720877662 /nfs/dbraw/zinc/87/76/62/720877662.db2.gz YSPHYYNDNULQJU-AUSIDOKSSA-N 1 1 457.962 3.793 20 5 JHBDMO CC(C)Oc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164746504 720918229 /nfs/dbraw/zinc/91/82/29/720918229.db2.gz BCPCRYWXRFOZLY-BKMJKUGQSA-N 1 1 481.597 3.927 20 5 JHBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C2)C1 ZINC001164779087 721343239 /nfs/dbraw/zinc/34/32/39/721343239.db2.gz QLWYBERCNSEGHQ-QHCPKHFHSA-N 1 1 486.960 3.915 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C2)C1 ZINC001164779087 721343242 /nfs/dbraw/zinc/34/32/42/721343242.db2.gz QLWYBERCNSEGHQ-QHCPKHFHSA-N 1 1 486.960 3.915 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001164779738 721345407 /nfs/dbraw/zinc/34/54/07/721345407.db2.gz VEJMPADMFJPLLS-XMMPIXPASA-N 1 1 451.527 3.867 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164782299 721363049 /nfs/dbraw/zinc/36/30/49/721363049.db2.gz MRUVIURAWWTEMV-DEOSSOPVSA-N 1 1 451.527 3.867 20 5 JHBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164888800 721405113 /nfs/dbraw/zinc/40/51/13/721405113.db2.gz OQVQYTVESCYSAA-SBUREZEXSA-N 1 1 459.978 3.562 20 5 JHBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164788508 721462956 /nfs/dbraw/zinc/46/29/56/721462956.db2.gz SZSMMEAYOOXICU-NRFANRHFSA-N 1 1 454.571 3.877 20 5 JHBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908566 721554050 /nfs/dbraw/zinc/55/40/50/721554050.db2.gz QIQTWOZVRDENOH-YPMHNXCESA-N 1 1 461.803 3.538 20 5 JHBDMO CCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164812012 721583882 /nfs/dbraw/zinc/58/38/82/721583882.db2.gz ZNJLNMJEOQGJOA-LSQMVHIFSA-N 1 1 474.565 3.877 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)n2)cc1[N+](=O)[O-] ZINC001164932305 721880095 /nfs/dbraw/zinc/88/00/95/721880095.db2.gz IMHFQXDOZSIWFR-RTBURBONSA-N 1 1 452.584 3.790 20 5 JHBDMO Cc1ccc(-c2nc3sccc3c(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC001164932305 721880097 /nfs/dbraw/zinc/88/00/97/721880097.db2.gz IMHFQXDOZSIWFR-RTBURBONSA-N 1 1 452.584 3.790 20 5 JHBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164973850 722125807 /nfs/dbraw/zinc/12/58/07/722125807.db2.gz HMLPEVIRMNHVRE-UTKZUKDTSA-N 1 1 453.930 3.919 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)ccc1Cl ZINC001164982148 722151248 /nfs/dbraw/zinc/15/12/48/722151248.db2.gz RDWRKROPWWLBOG-XXBNENTESA-N 1 1 480.956 3.828 20 5 JHBDMO CCCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001306685730 1069421312 /nfs/dbraw/zinc/42/13/12/1069421312.db2.gz JVSXCSKMAZSDCE-UHFFFAOYSA-N 1 1 457.623 3.833 20 5 JHBDMO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001311547990 1069433535 /nfs/dbraw/zinc/43/35/35/1069433535.db2.gz IMBFJWGRGPSJGO-QGZVFWFLSA-N 1 1 451.449 3.599 20 5 JHBDMO CC1CCC(NS(=O)(=O)c2ccc(N3CCC[N@H+](C(C)(C)C)CC3)c([N+](=O)[O-])c2)CC1 ZINC001306949907 1069688258 /nfs/dbraw/zinc/68/82/58/1069688258.db2.gz RFUOOVWDZCJILX-UHFFFAOYSA-N 1 1 452.621 3.762 20 5 JHBDMO CCC[N@H+]1CC[C@H](Cn2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046996 1069787764 /nfs/dbraw/zinc/78/77/64/1069787764.db2.gz PRMPKQONTQSRPK-IBGZPJMESA-N 1 1 455.607 3.542 20 5 JHBDMO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[N@H+](C4CC4)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001307131021 1069898638 /nfs/dbraw/zinc/89/86/38/1069898638.db2.gz XXTAESKSRQQXPW-QGZVFWFLSA-N 1 1 458.584 3.933 20 5 JHBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)cc1C ZINC001307195436 1069906387 /nfs/dbraw/zinc/90/63/87/1069906387.db2.gz JHHQMHZJQGKMDR-CLOONOSVSA-N 1 1 453.539 3.950 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001307524851 1070033735 /nfs/dbraw/zinc/03/37/35/1070033735.db2.gz ORPRNWOUHPEHJE-OFNKIYASSA-N 1 1 452.555 3.919 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 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450.536 3.557 20 5 JHBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC([N@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001307974935 1070265498 /nfs/dbraw/zinc/26/54/98/1070265498.db2.gz DYGGITPPPORODR-DEOSSOPVSA-N 1 1 452.555 3.770 20 5 JHBDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC001307994725 1070274238 /nfs/dbraw/zinc/27/42/38/1070274238.db2.gz USWTUVUYUSFNSQ-UHFFFAOYSA-N 1 1 454.264 3.765 20 5 JHBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnn(CC)c1 ZINC001313449760 1070375280 /nfs/dbraw/zinc/37/52/80/1070375280.db2.gz ZQHRCIGULNTBBY-NRFANRHFSA-N 1 1 452.563 3.581 20 5 JHBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3noc(-c4cccc(Br)c4)n3)CC2)cn1 ZINC001308730526 1070427715 /nfs/dbraw/zinc/42/77/15/1070427715.db2.gz UQCFGQGDESVEQL-UHFFFAOYSA-N 1 1 459.304 3.561 20 5 JHBDMO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001313548402 1070661065 /nfs/dbraw/zinc/66/10/65/1070661065.db2.gz LIVZYSIAGGAAAF-FQEVSTJZSA-N 1 1 497.644 3.813 20 5 JHBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC001309549234 1070848146 /nfs/dbraw/zinc/84/81/46/1070848146.db2.gz SZCSCAPZLIVXGN-HXUWFJFHSA-N 1 1 455.964 3.925 20 5 JHBDMO CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001313806792 1071225917 /nfs/dbraw/zinc/22/59/17/1071225917.db2.gz YPNIENVPQIPOCU-OAQYLSRUSA-N 1 1 499.616 3.785 20 5 JHBDMO CC[N@@H+](CCn1c(-c2ccccc2OC)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)C(C)C ZINC001313808845 1071234475 /nfs/dbraw/zinc/23/44/75/1071234475.db2.gz RERSFALJEHDRSN-UHFFFAOYSA-N 1 1 482.589 3.630 20 5 JHBDMO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)CN1CC[NH+](CC)CC1)C1CCCC1 ZINC001313952358 1071644855 /nfs/dbraw/zinc/64/48/55/1071644855.db2.gz ZJCMZGSKPBBPDZ-HXUWFJFHSA-N 1 1 469.634 3.896 20 5 JHBDMO CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001306028755 1068426485 /nfs/dbraw/zinc/42/64/85/1068426485.db2.gz CUIVYFAUMOSTMX-UHFFFAOYSA-N 1 1 485.614 3.619 20 5 JHBDMO CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001306028755 1068426490 /nfs/dbraw/zinc/42/64/90/1068426490.db2.gz CUIVYFAUMOSTMX-UHFFFAOYSA-N 1 1 485.614 3.619 20 5 JHBDMO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001306264742 1068678955 /nfs/dbraw/zinc/67/89/55/1068678955.db2.gz QESYDBDQGRQFPF-WOIUINJBSA-N 1 1 456.591 3.979 20 5 JHBDMO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001306320847 1068750162 /nfs/dbraw/zinc/75/01/62/1068750162.db2.gz XVRFSLQTDZCSPW-CTNGQTDRSA-N 1 1 455.607 3.648 20 5 JHBDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001306320847 1068750174 /nfs/dbraw/zinc/75/01/74/1068750174.db2.gz XVRFSLQTDZCSPW-CTNGQTDRSA-N 1 1 455.607 3.648 20 5 JHBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306406645 1068878155 /nfs/dbraw/zinc/87/81/55/1068878155.db2.gz MZOPMDOSWCXOSL-JTHBVZDNSA-N 1 1 499.660 3.521 20 5 JHBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306406645 1068878164 /nfs/dbraw/zinc/87/81/64/1068878164.db2.gz MZOPMDOSWCXOSL-JTHBVZDNSA-N 1 1 499.660 3.521 20 5 JHBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cn1 ZINC001310875843 1069203211 /nfs/dbraw/zinc/20/32/11/1069203211.db2.gz CAGBKVVOWHNKKT-QGZVFWFLSA-N 1 1 452.368 3.726 20 5 JHBDMO CCOC(=O)c1nc(Cl)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164694564 719804070 /nfs/dbraw/zinc/80/40/70/719804070.db2.gz ZZCCGCCEQYUNEH-UHFFFAOYSA-N 1 1 480.978 3.615 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]21 ZINC001164836010 720527706 /nfs/dbraw/zinc/52/77/06/720527706.db2.gz LMXJMESHQIUAIV-ZVZYQTTQSA-N 1 1 454.909 3.762 20 5 JHBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@@H]21 ZINC001164835564 720630913 /nfs/dbraw/zinc/63/09/13/720630913.db2.gz BGXDLHKGKMYGHH-DXIQSLLYSA-N 1 1 465.533 3.765 20 5 JHBDMO COc1cc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1[N+](=O)[O-] ZINC001164843368 720692255 /nfs/dbraw/zinc/69/22/55/720692255.db2.gz OVYYKTVBUWKPJF-IBGZPJMESA-N 1 1 463.538 3.807 20 5 JHBDMO CN(C)/C=C/c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839686 720709746 /nfs/dbraw/zinc/70/97/46/720709746.db2.gz MOKNLXKROUVKRI-FQTAANOTSA-N 1 1 451.571 3.782 20 5 JHBDMO CN(C)/C=C/c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839695 720709799 /nfs/dbraw/zinc/70/97/99/720709799.db2.gz MOKNLXKROUVKRI-RUCTVCJSSA-N 1 1 451.571 3.782 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)ccc1Cl ZINC001164744807 720854642 /nfs/dbraw/zinc/85/46/42/720854642.db2.gz CKFOMFUWJUZZHL-NNMXDRDESA-N 1 1 494.987 3.676 20 5 JHBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755466 720871901 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/nfs/dbraw/zinc/83/86/79/721838679.db2.gz YEFOZFFWCFLYFQ-UHFFFAOYSA-N 1 1 467.979 3.878 20 5 JHBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001306786543 1069589317 /nfs/dbraw/zinc/58/93/17/1069589317.db2.gz VYHJLQBGHLPTTP-SFHVURJKSA-N 1 1 487.605 3.546 20 5 JHBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001306943486 1069687675 /nfs/dbraw/zinc/68/76/75/1069687675.db2.gz KDYINQOKECWYHW-UHFFFAOYSA-N 1 1 457.962 3.765 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001307524850 1070033440 /nfs/dbraw/zinc/03/34/40/1070033440.db2.gz ORPRNWOUHPEHJE-NZQKXSOJSA-N 1 1 452.555 3.919 20 5 JHBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001307524850 1070033458 /nfs/dbraw/zinc/03/34/58/1070033458.db2.gz ORPRNWOUHPEHJE-NZQKXSOJSA-N 1 1 452.555 3.919 20 5 JHBDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001307597896 1070073125 /nfs/dbraw/zinc/07/31/25/1070073125.db2.gz RIBLKQXPNNBVJI-CQSZACIVSA-N 1 1 455.300 3.751 20 5 JHBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001307597896 1070073138 /nfs/dbraw/zinc/07/31/38/1070073138.db2.gz RIBLKQXPNNBVJI-CQSZACIVSA-N 1 1 455.300 3.751 20 5 JHBDMO O=C(CC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001307759305 1070171187 /nfs/dbraw/zinc/17/11/87/1070171187.db2.gz IPAKSEOIESEANW-IBGZPJMESA-N 1 1 456.518 3.666 20 5 JHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001307900071 1070231849 /nfs/dbraw/zinc/23/18/49/1070231849.db2.gz IYAAWCODQNSGJY-MAUKXSAKSA-N 1 1 450.536 3.557 20 5 JHBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001307900071 1070231855 /nfs/dbraw/zinc/23/18/55/1070231855.db2.gz IYAAWCODQNSGJY-MAUKXSAKSA-N 1 1 450.536 3.557 20 5 JHBDMO C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001308050751 1070293105 /nfs/dbraw/zinc/29/31/05/1070293105.db2.gz YCFOZMHUERULOB-CQSZACIVSA-N 1 1 452.433 3.740 20 5 JHBDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313447206 1070366440 /nfs/dbraw/zinc/36/64/40/1070366440.db2.gz IODKNAUIYHBKBL-PXNSSMCTSA-N 1 1 495.550 3.801 20 5 JHBDMO COc1ccc([C@H](CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC001309012349 1070483338 /nfs/dbraw/zinc/48/33/38/1070483338.db2.gz ZZAONBRLFHNEQP-FQEVSTJZSA-N 1 1 453.948 3.681 20 5 JHBDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001309060837 1070514542 /nfs/dbraw/zinc/51/45/42/1070514542.db2.gz QGNRBVIJABNPJZ-UHFFFAOYSA-N 1 1 456.362 3.676 20 5 JHBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247907 1070643231 /nfs/dbraw/zinc/64/32/31/1070643231.db2.gz CKVGNGWEFGMEFR-WMLDXEAASA-N 1 1 457.474 3.803 20 5 JHBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001309260287 1070652456 /nfs/dbraw/zinc/65/24/56/1070652456.db2.gz CNADHBCAKPRBLS-RHSMWYFYSA-N 1 1 457.474 3.945 20 5 JHBDMO CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001313696430 1070963083 /nfs/dbraw/zinc/96/30/83/1070963083.db2.gz GZFXQDYLGMSVDQ-SFTDATJTSA-N 1 1 499.660 3.663 20 5 JHBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314830720 1071162369 /nfs/dbraw/zinc/16/23/69/1071162369.db2.gz YAVAGTBRNVZMBS-NRFANRHFSA-N 1 1 470.618 3.881 20 5 JHBDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc(C)no2)C1)C(C)C ZINC001313806234 1071223807 /nfs/dbraw/zinc/22/38/07/1071223807.db2.gz SHAFTAFIKBFCFO-IBGZPJMESA-N 1 1 468.562 3.659 20 5 JHBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@@H]1C ZINC001313860205 1071368038 /nfs/dbraw/zinc/36/80/38/1071368038.db2.gz KKWNKDLGLMFMSY-OALUTQOASA-N 1 1 456.591 3.979 20 5 JHBDMO CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313934303 1071601653 /nfs/dbraw/zinc/60/16/53/1071601653.db2.gz TWKIVHBIYJFRDL-KRWDZBQOSA-N 1 1 487.605 3.687 20 5 JHBDMO CCc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001306141075 1068542204 /nfs/dbraw/zinc/54/22/04/1068542204.db2.gz RYMDZAXAXCRTKL-LJQANCHMSA-N 1 1 472.981 3.743 20 5 JHBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164715530 720107466 /nfs/dbraw/zinc/10/74/66/720107466.db2.gz HHFWSSLHHQVONW-HNNXBMFYSA-N 1 1 467.357 3.594 20 5 JHBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740145 720698260 /nfs/dbraw/zinc/69/82/60/720698260.db2.gz QHSQVIRUQOZKDV-ZBFHGGJFSA-N 1 1 486.891 3.707 20 5 JHBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164747507 720848601 /nfs/dbraw/zinc/84/86/01/720848601.db2.gz RAWSRVBSDMWMPA-DJPFJPOOSA-N 1 1 467.961 3.767 20 5 JHBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164758173 720886234 /nfs/dbraw/zinc/88/62/34/720886234.db2.gz XJXYTZDWUXHNJZ-QFQXNSOFSA-N 1 1 474.565 3.688 20 5 JHBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164874507 721170673 /nfs/dbraw/zinc/17/06/73/721170673.db2.gz KEFUJTMAWDGNHJ-RTBURBONSA-N 1 1 466.929 3.580 20 5 JHBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001164780080 721347747 /nfs/dbraw/zinc/34/77/47/721347747.db2.gz ZKGDURRTKLVURF-DEOSSOPVSA-N 1 1 451.527 3.867 20 5 JHBDMO COc1cc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2cc1[N+](=O)[O-] ZINC001164911591 721755155 /nfs/dbraw/zinc/75/51/55/721755155.db2.gz WXAAZSPGCIVYEJ-UHFFFAOYSA-N 1 1 460.494 3.729 20 5 JHBDMO COc1cc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2cc1[N+](=O)[O-] ZINC001164911591 721755157 /nfs/dbraw/zinc/75/51/57/721755157.db2.gz WXAAZSPGCIVYEJ-UHFFFAOYSA-N 1 1 460.494 3.729 20 5 JHBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(/C=C/N(C)C)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164939028 721930793 /nfs/dbraw/zinc/93/07/93/721930793.db2.gz HKOGPECFXQJFEA-DHZHZOJOSA-N 1 1 451.571 3.702 20 5 JHBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953285 722013171 /nfs/dbraw/zinc/01/31/71/722013171.db2.gz DJRGBPYKCIEXMH-UHFFFAOYSA-N 1 1 459.934 3.707 20 5 JHBDMO