smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001305882472 1069436345 /nfs/dbraw/zinc/43/63/45/1069436345.db2.gz OXTKQWAMBYRWBZ-QPPBQGQZSA-N 1 1 472.590 3.096 20 5 JGBDMO CO[C@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001299750281 1064950258 /nfs/dbraw/zinc/95/02/58/1064950258.db2.gz NFBTXVZIPHZYLY-XUZZJYLKSA-N 1 1 472.590 3.096 20 5 JGBDMO COC[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001300957783 1065763736 /nfs/dbraw/zinc/76/37/36/1065763736.db2.gz IZBGBXLSAGTNRX-QMHWCDLVSA-N 1 1 496.616 3.389 20 5 JGBDMO COCC1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001301090335 1065940061 /nfs/dbraw/zinc/94/00/61/1065940061.db2.gz OIHDHKCGXLMLLW-UHFFFAOYSA-N 1 1 485.633 3.132 20 5 JGBDMO COCC1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301090335 1065940073 /nfs/dbraw/zinc/94/00/73/1065940073.db2.gz OIHDHKCGXLMLLW-UHFFFAOYSA-N 1 1 485.633 3.132 20 5 JGBDMO COCC1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301090335 1065940085 /nfs/dbraw/zinc/94/00/85/1065940085.db2.gz OIHDHKCGXLMLLW-UHFFFAOYSA-N 1 1 485.633 3.132 20 5 JGBDMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001301985611 1066296737 /nfs/dbraw/zinc/29/67/37/1066296737.db2.gz YVKHPCSFJFDNKQ-LZJOCLMNSA-N 1 1 490.630 3.128 20 5 JGBDMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001301985611 1066296752 /nfs/dbraw/zinc/29/67/52/1066296752.db2.gz YVKHPCSFJFDNKQ-LZJOCLMNSA-N 1 1 490.630 3.128 20 5 JGBDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCSC2)CC1 ZINC001302195475 1066684384 /nfs/dbraw/zinc/68/43/84/1066684384.db2.gz RODKASRBKOGVEM-QFIPXVFZSA-N 1 1 460.604 3.032 20 5 JGBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC001301783537 1066732595 /nfs/dbraw/zinc/73/25/95/1066732595.db2.gz QNRULCGOOMYWDT-GMAHTHKFSA-N 1 1 450.539 3.207 20 5 JGBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCSC2)C[C@@H]1C ZINC001301886311 1066897458 /nfs/dbraw/zinc/89/74/58/1066897458.db2.gz VBFQXWZMFCRSFD-ZWKOTPCHSA-N 1 1 460.604 3.153 20 5 JGBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC(F)F ZINC001302902769 1067488103 /nfs/dbraw/zinc/48/81/03/1067488103.db2.gz OUODASQJJAWRDW-INIZCTEOSA-N 1 1 480.516 3.172 20 5 JGBDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)F)C1 ZINC001303201836 1067737775 /nfs/dbraw/zinc/73/77/75/1067737775.db2.gz PWVWFFLTNMBOPE-SFHVURJKSA-N 1 1 452.506 3.302 20 5 JGBDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccn(C)n2)CC1 ZINC001303257822 1067784625 /nfs/dbraw/zinc/78/46/25/1067784625.db2.gz ZFUCEVDEVSMRHB-UHFFFAOYSA-N 1 1 466.590 3.386 20 5 JGBDMO CC(C)[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001303264058 1067791661 /nfs/dbraw/zinc/79/16/61/1067791661.db2.gz UOHXKNSMXFKKGQ-UHFFFAOYSA-N 1 1 464.574 3.305 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001303270376 1067799219 /nfs/dbraw/zinc/79/92/19/1067799219.db2.gz JFMIPVNJSNCVIQ-MRXNPFEDSA-N 1 1 469.512 3.266 20 5 JGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001304926517 1067970409 /nfs/dbraw/zinc/97/04/09/1067970409.db2.gz RQFCOHMEWSGEHI-SVFBPWRDSA-N 1 1 483.617 3.184 20 5 JGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)CC2)C1 ZINC001304928652 1067976656 /nfs/dbraw/zinc/97/66/56/1067976656.db2.gz WEGUKRKEZIPJEB-KDURUIRLSA-N 1 1 474.631 3.180 20 5 JGBDMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305045467 1068103189 /nfs/dbraw/zinc/10/31/89/1068103189.db2.gz FRDZVWZJSYFQPF-ICSRJNTNSA-N 1 1 469.590 3.067 20 5 JGBDMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305045468 1068103261 /nfs/dbraw/zinc/10/32/61/1068103261.db2.gz FRDZVWZJSYFQPF-QUCCMNQESA-N 1 1 469.590 3.067 20 5 JGBDMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305057861 1068119880 /nfs/dbraw/zinc/11/98/80/1068119880.db2.gz DMNPEHHIDNDHHX-GOSISDBHSA-N 1 1 469.590 3.032 20 5 JGBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303695371 1068238489 /nfs/dbraw/zinc/23/84/89/1068238489.db2.gz IMZOWUKYLQIMJB-RDJZCZTQSA-N 1 1 468.480 3.353 20 5 JGBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001303697221 1068240800 /nfs/dbraw/zinc/24/08/00/1068240800.db2.gz WWMCAUVMFGXVAX-AWEZNQCLSA-N 1 1 468.480 3.230 20 5 JGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001303760112 1068326119 /nfs/dbraw/zinc/32/61/19/1068326119.db2.gz VIFDKGWJSFZUQQ-IRLDBZIGSA-N 1 1 486.617 3.464 20 5 JGBDMO COC(=O)c1nc(Cl)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164692275 719805322 /nfs/dbraw/zinc/80/53/22/719805322.db2.gz MGWOCDHBHOXLCL-UHFFFAOYSA-N 1 1 466.951 3.225 20 5 JGBDMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164835365 720553939 /nfs/dbraw/zinc/55/39/39/720553939.db2.gz GYXBYDPQUGXERW-RRFJBIMHSA-N 1 1 451.984 3.334 20 5 JGBDMO CCOC(=O)c1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164842839 720725031 /nfs/dbraw/zinc/72/50/31/720725031.db2.gz ZFYVROUYFIXRMZ-IBGZPJMESA-N 1 1 454.527 3.426 20 5 JGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744454 720819913 /nfs/dbraw/zinc/81/99/13/720819913.db2.gz UHCBUBQQRPQSQK-IIAWOOMASA-N 1 1 452.346 3.268 20 5 JGBDMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164746564 720851130 /nfs/dbraw/zinc/85/11/30/720851130.db2.gz OLPGKQHVCUYVGB-MDNUFGMLSA-N 1 1 474.569 3.331 20 5 JGBDMO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751569 720881404 /nfs/dbraw/zinc/88/14/04/720881404.db2.gz LALSOBRFMZCCTB-WMZHIEFXSA-N 1 1 468.514 3.048 20 5 JGBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)CC[C@H]2C1 ZINC001164859419 720892394 /nfs/dbraw/zinc/89/23/94/720892394.db2.gz QGZBUXMJJMAIFW-MGPUTAFESA-N 1 1 497.930 3.424 20 5 JGBDMO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164747290 720928945 /nfs/dbraw/zinc/92/89/45/720928945.db2.gz CPKFXKBFDAISKZ-RLWLMLJZSA-N 1 1 495.580 3.317 20 5 JGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C[C@@H]3C2)cn1 ZINC001164768912 721229534 /nfs/dbraw/zinc/22/95/34/721229534.db2.gz YMXAHWUETTZHSE-ROUUACIJSA-N 1 1 453.934 3.397 20 5 JGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])CC2 ZINC001164788571 721461422 /nfs/dbraw/zinc/46/14/22/721461422.db2.gz UFINMWWXYMTMOP-MRXNPFEDSA-N 1 1 486.038 3.494 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164808413 721540337 /nfs/dbraw/zinc/54/03/37/721540337.db2.gz RXPUOIFITUFLPF-KYJSFNMBSA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164808413 721540342 /nfs/dbraw/zinc/54/03/42/721540342.db2.gz RXPUOIFITUFLPF-KYJSFNMBSA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164802999 721543713 /nfs/dbraw/zinc/54/37/13/721543713.db2.gz HDHDMIPQDPFCAS-KZNAEPCWSA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164802999 721543716 /nfs/dbraw/zinc/54/37/16/721543716.db2.gz HDHDMIPQDPFCAS-KZNAEPCWSA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164802996 721544440 /nfs/dbraw/zinc/54/44/40/721544440.db2.gz HDHDMIPQDPFCAS-KSZLIROESA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164802996 721544443 /nfs/dbraw/zinc/54/44/43/721544443.db2.gz HDHDMIPQDPFCAS-KSZLIROESA-N 1 1 453.877 3.451 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164906928 721585319 /nfs/dbraw/zinc/58/53/19/721585319.db2.gz PGZWHQXNDAKNLO-HXUWFJFHSA-N 1 1 496.902 3.348 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165023939 721801604 /nfs/dbraw/zinc/80/16/04/721801604.db2.gz KGUFTIZGBNFWFA-XIRDDKMYSA-N 1 1 474.949 3.347 20 5 JGBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964033 722054320 /nfs/dbraw/zinc/05/43/20/722054320.db2.gz RAKIQXXUDRVSAP-UHFFFAOYSA-N 1 1 453.330 3.206 20 5 JGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164982263 722101548 /nfs/dbraw/zinc/10/15/48/722101548.db2.gz NCXGTOKVZLOWGN-QAPCUYQASA-N 1 1 453.877 3.310 20 5 JGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)ccc1F ZINC001164974228 722151213 /nfs/dbraw/zinc/15/12/13/722151213.db2.gz CPLJZBDLUCRFTG-AUSIDOKSSA-N 1 1 464.501 3.313 20 5 JGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971066 722157559 /nfs/dbraw/zinc/15/75/59/722157559.db2.gz AIBQTPGLVFMMQB-JXFKEZNVSA-N 1 1 454.918 3.314 20 5 JGBDMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001301985610 1066296649 /nfs/dbraw/zinc/29/66/49/1066296649.db2.gz YVKHPCSFJFDNKQ-LLGFUMIMSA-N 1 1 490.630 3.128 20 5 JGBDMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001301985610 1066296660 /nfs/dbraw/zinc/29/66/60/1066296660.db2.gz YVKHPCSFJFDNKQ-LLGFUMIMSA-N 1 1 490.630 3.128 20 5 JGBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1OC ZINC001302410026 1066993468 /nfs/dbraw/zinc/99/34/68/1066993468.db2.gz OKWORACETMGBHG-YUXAGFNASA-N 1 1 472.590 3.071 20 5 JGBDMO CC1=C(Br)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001303998822 1067041242 /nfs/dbraw/zinc/04/12/42/1067041242.db2.gz IDHTWVXFMROQER-INIZCTEOSA-N 1 1 491.390 3.453 20 5 JGBDMO CSCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001302799919 1067389080 /nfs/dbraw/zinc/38/90/80/1067389080.db2.gz XDRLAUFNMPYVES-QGZVFWFLSA-N 1 1 460.604 3.296 20 5 JGBDMO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001303072843 1067607334 /nfs/dbraw/zinc/60/73/34/1067607334.db2.gz GMXRPAHIUIXGJR-HSZRJFAPSA-N 1 1 485.633 3.131 20 5 JGBDMO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303334473 1067863476 /nfs/dbraw/zinc/86/34/76/1067863476.db2.gz TVPJAHHFLSHWOU-IBGZPJMESA-N 1 1 457.579 3.081 20 5 JGBDMO Cc1noc(C)c1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304882657 1067927389 /nfs/dbraw/zinc/92/73/89/1067927389.db2.gz SLAQJFSHSBWOSH-UHFFFAOYSA-N 1 1 496.616 3.368 20 5 JGBDMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001305025287 1068080285 /nfs/dbraw/zinc/08/02/85/1068080285.db2.gz LZCAHYXVIUPNMP-RBUKOAKNSA-N 1 1 466.590 3.386 20 5 JGBDMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305045466 1068103217 /nfs/dbraw/zinc/10/32/17/1068103217.db2.gz FRDZVWZJSYFQPF-AZUAARDMSA-N 1 1 469.590 3.067 20 5 JGBDMO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC001305081725 1068154244 /nfs/dbraw/zinc/15/42/44/1068154244.db2.gz SLSDQGQCRVHWHS-LVCYWYKZSA-N 1 1 469.590 3.031 20 5 JGBDMO CC[C@@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305452518 1068688941 /nfs/dbraw/zinc/68/89/41/1068688941.db2.gz HHXHGIHSSWSXNT-LJQANCHMSA-N 1 1 487.653 3.011 20 5 JGBDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001305608094 1068877607 /nfs/dbraw/zinc/87/76/07/1068877607.db2.gz OOSYJMKIRUMXPI-SFHVURJKSA-N 1 1 479.589 3.455 20 5 JGBDMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663724 719356640 /nfs/dbraw/zinc/35/66/40/719356640.db2.gz GXZMVPQAZSYPPO-FQEVSTJZSA-N 1 1 497.934 3.168 20 5 JGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164712716 720127867 /nfs/dbraw/zinc/12/78/67/720127867.db2.gz OPHCJENUGXNMHX-FQEVSTJZSA-N 1 1 469.542 3.069 20 5 JGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164712719 720129098 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CC(C)CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001303224551 1067761248 /nfs/dbraw/zinc/76/12/48/1067761248.db2.gz QFDUAFPOPVKOKP-QFIPXVFZSA-N 1 1 485.633 3.131 20 5 JGBDMO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001303224551 1067761252 /nfs/dbraw/zinc/76/12/52/1067761252.db2.gz QFDUAFPOPVKOKP-QFIPXVFZSA-N 1 1 485.633 3.131 20 5 JGBDMO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001303224551 1067761257 /nfs/dbraw/zinc/76/12/57/1067761257.db2.gz QFDUAFPOPVKOKP-QFIPXVFZSA-N 1 1 485.633 3.131 20 5 JGBDMO O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCC([NH2+]C2CCC2)CC1 ZINC001304696033 1067767871 /nfs/dbraw/zinc/76/78/71/1067767871.db2.gz GXUMRAZITVYTJC-UHFFFAOYSA-N 1 1 458.540 3.142 20 5 JGBDMO CC(C)[N@@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001303261347 1067786959 /nfs/dbraw/zinc/78/69/59/1067786959.db2.gz FTYGIVULICIZGQ-UHFFFAOYSA-N 1 1 499.616 3.200 20 5 JGBDMO CC(C)[N@@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccccn2)CC1 ZINC001303261628 1067788087 /nfs/dbraw/zinc/78/80/87/1067788087.db2.gz PWUJVWRNVDCVNH-UHFFFAOYSA-N 1 1 464.574 3.305 20 5 JGBDMO CC(C)OC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001303526480 1068056249 /nfs/dbraw/zinc/05/62/49/1068056249.db2.gz SNQXZNHTIXGDNT-UHFFFAOYSA-N 1 1 472.590 3.358 20 5 JGBDMO CC(C)OC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001303526480 1068056261 /nfs/dbraw/zinc/05/62/61/1068056261.db2.gz SNQXZNHTIXGDNT-UHFFFAOYSA-N 1 1 472.590 3.358 20 5 JGBDMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305018671 1068064073 /nfs/dbraw/zinc/06/40/73/1068064073.db2.gz UQUCPVLSYJWOPO-HKUYNNGSSA-N 1 1 455.563 3.038 20 5 JGBDMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001305023468 1068076410 /nfs/dbraw/zinc/07/64/10/1068076410.db2.gz SGGBRWFWDKYMIB-ROUUACIJSA-N 1 1 469.590 3.031 20 5 JGBDMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001305025285 1068080082 /nfs/dbraw/zinc/08/00/82/1068080082.db2.gz LZCAHYXVIUPNMP-MOPGFXCFSA-N 1 1 466.590 3.386 20 5 JGBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)OC(C)(C)C ZINC001305219151 1068356469 /nfs/dbraw/zinc/35/64/69/1068356469.db2.gz AYJCXJJSUGNBIF-LPHOPBHVSA-N 1 1 471.562 3.051 20 5 JGBDMO C[C@H](N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CC=CCC2)CC1)C(F)(F)F ZINC001303788132 1068369540 /nfs/dbraw/zinc/36/95/40/1068369540.db2.gz GGJRVRHNELWOLN-KRWDZBQOSA-N 1 1 479.507 3.188 20 5 JGBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164629034 719113927 /nfs/dbraw/zinc/11/39/27/719113927.db2.gz QGLYHSXFWDZJCG-FPOVZHCZSA-N 1 1 496.564 3.300 20 5 JGBDMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)CC2 ZINC001164690574 719758529 /nfs/dbraw/zinc/75/85/29/719758529.db2.gz FBYCFAMQZNDYEU-UHFFFAOYSA-N 1 1 494.930 3.431 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164814876 720077868 /nfs/dbraw/zinc/07/78/68/720077868.db2.gz XPRAOCROYKDEHL-YCRPNKLZSA-N 1 1 452.939 3.005 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839408 720514365 /nfs/dbraw/zinc/51/43/65/720514365.db2.gz UBICMPKUVJTNCP-SOLBZPMBSA-N 1 1 476.965 3.394 20 5 JGBDMO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164746563 720851187 /nfs/dbraw/zinc/85/11/87/720851187.db2.gz OLPGKQHVCUYVGB-AKIFATBCSA-N 1 1 474.569 3.331 20 5 JGBDMO Cc1nc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754808 720870279 /nfs/dbraw/zinc/87/02/79/720870279.db2.gz SOFKTCQWYMKGQB-AUSIDOKSSA-N 1 1 472.977 3.497 20 5 JGBDMO COc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164755324 720878413 /nfs/dbraw/zinc/87/84/13/720878413.db2.gz WQMCHDULFLTJQD-HYBUGGRVSA-N 1 1 453.543 3.149 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164855558 720929005 /nfs/dbraw/zinc/92/90/05/720929005.db2.gz IMAQHUIKLXUHMU-ZDUSSCGKSA-N 1 1 450.927 3.438 20 5 JGBDMO CCc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164872630 721161072 /nfs/dbraw/zinc/16/10/72/721161072.db2.gz HYCKKOVKXUPNDQ-XZOQPEGZSA-N 1 1 460.538 3.489 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777777 721337069 /nfs/dbraw/zinc/33/70/69/721337069.db2.gz QMBXZJXAADAUMR-FQEVSTJZSA-N 1 1 482.994 3.484 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777777 721337073 /nfs/dbraw/zinc/33/70/73/721337073.db2.gz QMBXZJXAADAUMR-FQEVSTJZSA-N 1 1 482.994 3.484 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164780116 721347266 /nfs/dbraw/zinc/34/72/66/721347266.db2.gz ZUZKFAYAPOPBFC-QHCPKHFHSA-N 1 1 452.515 3.262 20 5 JGBDMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164898333 721439449 /nfs/dbraw/zinc/43/94/49/721439449.db2.gz VQRKUEUPXJZKFN-RCZVLFRGSA-N 1 1 466.586 3.126 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165023933 721801596 /nfs/dbraw/zinc/80/15/96/721801596.db2.gz KGUFTIZGBNFWFA-BHYGNILZSA-N 1 1 474.949 3.347 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939271 721920842 /nfs/dbraw/zinc/92/08/42/721920842.db2.gz TZZQVEMAYTXHQV-UHFFFAOYSA-N 1 1 489.960 3.395 20 5 JGBDMO CCOC(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939400 721933322 /nfs/dbraw/zinc/93/33/22/721933322.db2.gz KIHCZUNYHACISB-UHFFFAOYSA-N 1 1 454.527 3.346 20 5 JGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164986213 722106944 /nfs/dbraw/zinc/10/69/44/722106944.db2.gz YKCRCPUJOBMMQQ-DOTOQJQBSA-N 1 1 453.877 3.310 20 5 JGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164977319 722109617 /nfs/dbraw/zinc/10/96/17/722109617.db2.gz MNDVTFUSJUKICW-YJBOKZPZSA-N 1 1 453.877 3.310 20 5 JGBDMO COCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001300931991 1065732051 /nfs/dbraw/zinc/73/20/51/1065732051.db2.gz FOBICUGNWNKHRU-UHFFFAOYSA-N 1 1 496.616 3.198 20 5 JGBDMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001301653034 1066521511 /nfs/dbraw/zinc/52/15/11/1066521511.db2.gz NXWQXHFHUQHOPA-FQEVSTJZSA-N 1 1 483.617 3.280 20 5 JGBDMO CC(C)(C)Cc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302164431 1066624891 /nfs/dbraw/zinc/62/48/91/1066624891.db2.gz BNNHGDGIUNTXGC-UHFFFAOYSA-N 1 1 485.633 3.212 20 5 JGBDMO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001301880807 1066886639 /nfs/dbraw/zinc/88/66/39/1066886639.db2.gz VDUWFMWXDLFMNU-UHFFFAOYSA-N 1 1 469.590 3.080 20 5 JGBDMO COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001301886299 1066896776 /nfs/dbraw/zinc/89/67/76/1066896776.db2.gz UVQZHHOSDWGPTF-OFNKIYASSA-N 1 1 485.633 3.131 20 5 JGBDMO CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302954539 1067525995 /nfs/dbraw/zinc/52/59/95/1067525995.db2.gz DKYHSLXBXVJYJQ-HXUWFJFHSA-N 1 1 470.622 3.227 20 5 JGBDMO Cc1cccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304461226 1067539960 /nfs/dbraw/zinc/53/99/60/1067539960.db2.gz NSWAEYZJHQSQLH-UHFFFAOYSA-N 1 1 479.585 3.346 20 5 JGBDMO Cc1cccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304461226 1067539965 /nfs/dbraw/zinc/53/99/65/1067539965.db2.gz NSWAEYZJHQSQLH-UHFFFAOYSA-N 1 1 479.585 3.346 20 5 JGBDMO Cc1cccc(OCc2nnc(N3CCC(n4cc([N+](=O)[O-])cn4)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001304507588 1067581462 /nfs/dbraw/zinc/58/14/62/1067581462.db2.gz SDVKTRMTUODFPF-UHFFFAOYSA-N 1 1 482.589 3.452 20 5 JGBDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccnc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001303204625 1067741789 /nfs/dbraw/zinc/74/17/89/1067741789.db2.gz KUKLWOLIXRKZCO-QHCPKHFHSA-N 1 1 479.585 3.284 20 5 JGBDMO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001303224550 1067761304 /nfs/dbraw/zinc/76/13/04/1067761304.db2.gz QFDUAFPOPVKOKP-JOCHJYFZSA-N 1 1 485.633 3.131 20 5 JGBDMO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001303224550 1067761310 /nfs/dbraw/zinc/76/13/10/1067761310.db2.gz QFDUAFPOPVKOKP-JOCHJYFZSA-N 1 1 485.633 3.131 20 5 JGBDMO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001303224550 1067761316 /nfs/dbraw/zinc/76/13/16/1067761316.db2.gz QFDUAFPOPVKOKP-JOCHJYFZSA-N 1 1 485.633 3.131 20 5 JGBDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001303256683 1067783771 /nfs/dbraw/zinc/78/37/71/1067783771.db2.gz OMPLKQRXLQBPNI-MGBGTMOVSA-N 1 1 474.631 3.321 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001303277132 1067804574 /nfs/dbraw/zinc/80/45/74/1067804574.db2.gz SBCQPVKJKGDPRJ-OAQYLSRUSA-N 1 1 457.579 3.095 20 5 JGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccn2)n1CCC[NH+]1CCOCC1 ZINC001303284818 1067811709 /nfs/dbraw/zinc/81/17/09/1067811709.db2.gz YIFRCNGDSGSOAB-UHFFFAOYSA-N 1 1 465.558 3.386 20 5 JGBDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303307391 1067835168 /nfs/dbraw/zinc/83/51/68/1067835168.db2.gz DKBLYSBRMZUSGQ-UHFFFAOYSA-N 1 1 469.512 3.268 20 5 JGBDMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001305058515 1068121189 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CCc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164872625 721160260 /nfs/dbraw/zinc/16/02/60/721160260.db2.gz HYCKKOVKXUPNDQ-GOTSBHOMSA-N 1 1 460.538 3.489 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C2)C1 ZINC001164780880 721365458 /nfs/dbraw/zinc/36/54/58/721365458.db2.gz IIRHLKWJQPDMQM-MUGCXESLSA-N 1 1 470.574 3.246 20 5 JGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C2)C1 ZINC001164780880 721365459 /nfs/dbraw/zinc/36/54/59/721365459.db2.gz IIRHLKWJQPDMQM-MUGCXESLSA-N 1 1 470.574 3.246 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)C2)C1 ZINC001164780883 721365621 /nfs/dbraw/zinc/36/56/21/721365621.db2.gz IIRHLKWJQPDMQM-OKHPUOTASA-N 1 1 470.574 3.246 20 5 JGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)C2)C1 ZINC001164780883 721365623 /nfs/dbraw/zinc/36/56/23/721365623.db2.gz IIRHLKWJQPDMQM-OKHPUOTASA-N 1 1 470.574 3.246 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC001164784263 721373165 /nfs/dbraw/zinc/37/31/65/721373165.db2.gz RCCWLZVBPFXICF-HSZRJFAPSA-N 1 1 452.515 3.262 20 5 JGBDMO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)cc1[N+](=O)[O-] ZINC001164898639 721426352 /nfs/dbraw/zinc/42/63/52/721426352.db2.gz WGKXKKQVIRLWOC-PXDATVDWSA-N 1 1 466.586 3.126 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901456 721515667 /nfs/dbraw/zinc/51/56/67/721515667.db2.gz XPITTYKZIIYCEL-GDBMZVCRSA-N 1 1 464.881 3.301 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]12 ZINC001164795085 721528037 /nfs/dbraw/zinc/52/80/37/721528037.db2.gz JHOWIYMRQHVCNI-CGTJXYLNSA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]12 ZINC001164795085 721528041 /nfs/dbraw/zinc/52/80/41/721528041.db2.gz JHOWIYMRQHVCNI-CGTJXYLNSA-N 1 1 453.877 3.451 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164810694 721533405 /nfs/dbraw/zinc/53/34/05/721533405.db2.gz XYDCNPUKICDPII-OFQRWUPVSA-N 1 1 450.952 3.023 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164810694 721533407 /nfs/dbraw/zinc/53/34/07/721533407.db2.gz XYDCNPUKICDPII-OFQRWUPVSA-N 1 1 450.952 3.023 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164808415 721539805 /nfs/dbraw/zinc/53/98/05/721539805.db2.gz RXPUOIFITUFLPF-QGPMSJSTSA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164808415 721539808 /nfs/dbraw/zinc/53/98/08/721539808.db2.gz RXPUOIFITUFLPF-QGPMSJSTSA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]21 ZINC001164807761 721542043 /nfs/dbraw/zinc/54/20/43/721542043.db2.gz RDLPROZEDCFWFJ-AQNXPRMDSA-N 1 1 454.918 3.455 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]21 ZINC001164807761 721542048 /nfs/dbraw/zinc/54/20/48/721542048.db2.gz RDLPROZEDCFWFJ-AQNXPRMDSA-N 1 1 454.918 3.455 20 5 JGBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164915600 721794606 /nfs/dbraw/zinc/79/46/06/721794606.db2.gz WXSQINOOBCGLLA-QHCPKHFHSA-N 1 1 469.929 3.299 20 5 JGBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164915600 721794610 /nfs/dbraw/zinc/79/46/10/721794610.db2.gz WXSQINOOBCGLLA-QHCPKHFHSA-N 1 1 469.929 3.299 20 5 JGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164978265 722108245 /nfs/dbraw/zinc/10/82/45/722108245.db2.gz ODTXLURHKGTYJK-JXFKEZNVSA-N 1 1 454.918 3.314 20 5 JGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)ccc1F ZINC001164974231 722151145 /nfs/dbraw/zinc/15/11/45/722151145.db2.gz CPLJZBDLUCRFTG-CVDCTZTESA-N 1 1 464.501 3.313 20 5 JGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971069 722156924 /nfs/dbraw/zinc/15/69/24/722156924.db2.gz AIBQTPGLVFMMQB-OXQOHEQNSA-N 1 1 454.918 3.314 20 5 JGBDMO CC[C@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001305882476 1069436475 /nfs/dbraw/zinc/43/64/75/1069436475.db2.gz OXTKQWAMBYRWBZ-XUZZJYLKSA-N 1 1 472.590 3.096 20 5 JGBDMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCc2sccc2C1 ZINC001298209120 1064127102 /nfs/dbraw/zinc/12/71/02/1064127102.db2.gz QUSGETWDOQIJGF-UHFFFAOYSA-N 1 1 497.625 3.324 20 5 JGBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1OCCC1(C)C ZINC001298727869 1064538388 /nfs/dbraw/zinc/53/83/88/1064538388.db2.gz KAJWYXUIFMVSEQ-FQEVSTJZSA-N 1 1 472.590 3.215 20 5 JGBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1OCCC1(C)C ZINC001298727869 1064538402 /nfs/dbraw/zinc/53/84/02/1064538402.db2.gz KAJWYXUIFMVSEQ-FQEVSTJZSA-N 1 1 472.590 3.215 20 5 JGBDMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299075300 1064880211 /nfs/dbraw/zinc/88/02/11/1064880211.db2.gz UMWGLPBFCPXSAL-SVFBPWRDSA-N 1 1 483.617 3.184 20 5 JGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001301878148 1066881240 /nfs/dbraw/zinc/88/12/40/1066881240.db2.gz BLXRWDRMSAMMTD-NZSAHSFTSA-N 1 1 456.568 3.288 20 5 JGBDMO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001302526412 1067151173 /nfs/dbraw/zinc/15/11/73/1067151173.db2.gz UXMINSBGSLHROA-QHCPKHFHSA-N 1 1 479.585 3.165 20 5 JGBDMO CSC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302696894 1067322380 /nfs/dbraw/zinc/32/23/80/1067322380.db2.gz QPPRPGVXXJXTMX-HXUWFJFHSA-N 1 1 473.647 3.211 20 5 JGBDMO CSC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302696894 1067322395 /nfs/dbraw/zinc/32/23/95/1067322395.db2.gz QPPRPGVXXJXTMX-HXUWFJFHSA-N 1 1 473.647 3.211 20 5 JGBDMO CSC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302696894 1067322413 /nfs/dbraw/zinc/32/24/13/1067322413.db2.gz QPPRPGVXXJXTMX-HXUWFJFHSA-N 1 1 473.647 3.211 20 5 JGBDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccn2C(F)F)C[C@H](C)O1 ZINC001302902183 1067487078 /nfs/dbraw/zinc/48/70/78/1067487078.db2.gz XPCZXERIWAMEMX-IYBDPMFKSA-N 1 1 490.515 3.039 20 5 JGBDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccn2C(F)F)C[C@H](C)O1 ZINC001302902183 1067487083 /nfs/dbraw/zinc/48/70/83/1067487083.db2.gz XPCZXERIWAMEMX-IYBDPMFKSA-N 1 1 490.515 3.039 20 5 JGBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001303174590 1067708071 /nfs/dbraw/zinc/70/80/71/1067708071.db2.gz YYCROJWKRAULQK-LJQANCHMSA-N 1 1 483.617 3.255 20 5 JGBDMO Cc1nc(Cc2nnc(N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304669355 1067737440 /nfs/dbraw/zinc/73/74/40/1067737440.db2.gz HMYABXSIWYDFMU-UHFFFAOYSA-N 1 1 484.630 3.209 20 5 JGBDMO CC(C)[N@@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303261481 1067787392 /nfs/dbraw/zinc/78/73/92/1067787392.db2.gz JVUJTCHWCKIEHG-QGZVFWFLSA-N 1 1 456.469 3.351 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001303277131 1067804424 /nfs/dbraw/zinc/80/44/24/1067804424.db2.gz SBCQPVKJKGDPRJ-NRFANRHFSA-N 1 1 457.579 3.095 20 5 JGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc[nH]2)n1CCC[NH+]1CCOCC1 ZINC001303284628 1067811162 /nfs/dbraw/zinc/81/11/62/1067811162.db2.gz RZXOKUIFBMYEFR-UHFFFAOYSA-N 1 1 453.547 3.319 20 5 JGBDMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001303302077 1067826695 /nfs/dbraw/zinc/82/66/95/1067826695.db2.gz AUHCRNQWGUJTNG-HXUWFJFHSA-N 1 1 483.617 3.222 20 5 JGBDMO CC(C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001303424884 1067949218 /nfs/dbraw/zinc/94/92/18/1067949218.db2.gz AEWYTBIGCNYFEL-UHFFFAOYSA-N 1 1 469.590 3.223 20 5 JGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001304927171 1067972493 /nfs/dbraw/zinc/97/24/93/1067972493.db2.gz QSMYIRQBKUXHTR-HSALFYBXSA-N 1 1 483.617 3.278 20 5 JGBDMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001305017957 1068062431 /nfs/dbraw/zinc/06/24/31/1068062431.db2.gz MQJCULZTUNCJEZ-HXUWFJFHSA-N 1 1 483.617 3.366 20 5 JGBDMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305018672 1068064155 /nfs/dbraw/zinc/06/41/55/1068064155.db2.gz UQUCPVLSYJWOPO-IEBWSBKVSA-N 1 1 455.563 3.038 20 5 JGBDMO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305018674 1068064636 /nfs/dbraw/zinc/06/46/36/1068064636.db2.gz UQUCPVLSYJWOPO-PKOBYXMFSA-N 1 1 455.563 3.038 20 5 JGBDMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001305023142 1068075446 /nfs/dbraw/zinc/07/54/46/1068075446.db2.gz QJOMJXAXEZIMBN-MSOLQXFVSA-N 1 1 469.590 3.031 20 5 JGBDMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@@H]4CC[C@H]3CC[N@H+](C)C4)cc2)cc1[N+](=O)[O-] ZINC001303598784 1068124762 /nfs/dbraw/zinc/12/47/62/1068124762.db2.gz JEHNJTWFNOPEHC-RBUKOAKNSA-N 1 1 458.540 3.013 20 5 JGBDMO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C ZINC001305081723 1068154232 /nfs/dbraw/zinc/15/42/32/1068154232.db2.gz SLSDQGQCRVHWHS-DBXWQHBBSA-N 1 1 469.590 3.031 20 5 JGBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303694592 1068237180 /nfs/dbraw/zinc/23/71/80/1068237180.db2.gz FOZZEYYYYWGJCZ-HOYKHHGWSA-N 1 1 472.590 3.215 20 5 JGBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303695384 1068238451 /nfs/dbraw/zinc/23/84/51/1068238451.db2.gz IMZOWUKYLQIMJB-WBVHZDCISA-N 1 1 468.480 3.353 20 5 JGBDMO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCN(CC[NH+](C)C)CC2)CC(C)(C)O1 ZINC001305142486 1068239687 /nfs/dbraw/zinc/23/96/87/1068239687.db2.gz NXQMFXPZJNQDCL-LJQANCHMSA-N 1 1 485.633 3.131 20 5 JGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001303704600 1068249436 /nfs/dbraw/zinc/24/94/36/1068249436.db2.gz IRJBVFLIDFAHBD-GOSISDBHSA-N 1 1 453.547 3.317 20 5 JGBDMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305233914 1068381547 /nfs/dbraw/zinc/38/15/47/1068381547.db2.gz HRSASBKXPLMBMH-MRXNPFEDSA-N 1 1 471.949 3.259 20 5 JGBDMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305233914 1068381558 /nfs/dbraw/zinc/38/15/58/1068381558.db2.gz HRSASBKXPLMBMH-MRXNPFEDSA-N 1 1 471.949 3.259 20 5 JGBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164629033 719113807 /nfs/dbraw/zinc/11/38/07/719113807.db2.gz QGLYHSXFWDZJCG-CTNGQTDRSA-N 1 1 496.564 3.300 20 5 JGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)CC2 ZINC001164714834 720118997 /nfs/dbraw/zinc/11/89/97/720118997.db2.gz CIAFLOKLPGZFRM-LJQANCHMSA-N 1 1 478.553 3.449 20 5 JGBDMO CCOC(=O)c1ccnc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1[N+](=O)[O-] ZINC001164711222 720151330 /nfs/dbraw/zinc/15/13/30/720151330.db2.gz GDMHWOADEJWRGI-LJQANCHMSA-N 1 1 469.542 3.069 20 5 JGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738815 720825993 /nfs/dbraw/zinc/82/59/93/720825993.db2.gz GVIQYNQVNCFGSO-IJEWVQPXSA-N 1 1 452.346 3.268 20 5 JGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cc1 ZINC001164748388 720845888 /nfs/dbraw/zinc/84/58/88/720845888.db2.gz UPZLDVWYUOPMDW-UNWVZKJWSA-N 1 1 460.542 3.023 20 5 JGBDMO Cc1nc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754810 720870681 /nfs/dbraw/zinc/87/06/81/720870681.db2.gz SOFKTCQWYMKGQB-WMZHIEFXSA-N 1 1 472.977 3.497 20 5 JGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747856 720870846 /nfs/dbraw/zinc/87/08/46/720870846.db2.gz BYJVQXRDVLWGDQ-PGRDOPGGSA-N 1 1 458.950 3.188 20 5 JGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755253 720877848 /nfs/dbraw/zinc/87/78/48/720877848.db2.gz VJDPKDIHGZWNPA-WMZHIEFXSA-N 1 1 472.977 3.497 20 5 JGBDMO COc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164755325 720878657 /nfs/dbraw/zinc/87/86/57/720878657.db2.gz WQMCHDULFLTJQD-RDPSFJRHSA-N 1 1 453.543 3.149 20 5 JGBDMO COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164755096 720884798 /nfs/dbraw/zinc/88/47/98/720884798.db2.gz KRODAMDHAZQOAW-GBXCKJPGSA-N 1 1 453.543 3.149 20 5 JGBDMO COc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751612 720886937 /nfs/dbraw/zinc/88/69/37/720886937.db2.gz CQHWRDCSRAGQAN-RDPSFJRHSA-N 1 1 453.543 3.149 20 5 JGBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)CC[C@@H]2C1 ZINC001164863645 720891491 /nfs/dbraw/zinc/89/14/91/720891491.db2.gz SXJCRDXTXDIONB-OXQOHEQNSA-N 1 1 497.930 3.424 20 5 JGBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)CC[C@@H]2C1 ZINC001164859418 720892634 /nfs/dbraw/zinc/89/26/34/720892634.db2.gz QGZBUXMJJMAIFW-FOIQADDNSA-N 1 1 497.930 3.424 20 5 JGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(C)c3[N+](=O)[O-])C2)C1 ZINC001164777812 721333073 /nfs/dbraw/zinc/33/30/73/721333073.db2.gz RBRRYYXEBNGUDV-HXUWFJFHSA-N 1 1 450.927 3.070 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(C)c3[N+](=O)[O-])C2)C1 ZINC001164777812 721333078 /nfs/dbraw/zinc/33/30/78/721333078.db2.gz RBRRYYXEBNGUDV-HXUWFJFHSA-N 1 1 450.927 3.070 20 5 JGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164778788 721339277 /nfs/dbraw/zinc/33/92/77/721339277.db2.gz OOUXWZOQGRFYOB-QHCPKHFHSA-N 1 1 452.515 3.262 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164778788 721339281 /nfs/dbraw/zinc/33/92/81/721339281.db2.gz OOUXWZOQGRFYOB-QHCPKHFHSA-N 1 1 452.515 3.262 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776371 721347149 /nfs/dbraw/zinc/34/71/49/721347149.db2.gz ATAJVZJKDGCKGZ-QHCPKHFHSA-N 1 1 452.515 3.262 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C2)C1 ZINC001164780882 721365357 /nfs/dbraw/zinc/36/53/57/721365357.db2.gz IIRHLKWJQPDMQM-NKJPNPRLSA-N 1 1 470.574 3.246 20 5 JGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C2)C1 ZINC001164780882 721365363 /nfs/dbraw/zinc/36/53/63/721365363.db2.gz IIRHLKWJQPDMQM-NKJPNPRLSA-N 1 1 470.574 3.246 20 5 JGBDMO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)cc1[N+](=O)[O-] ZINC001164898642 721426107 /nfs/dbraw/zinc/42/61/07/721426107.db2.gz WGKXKKQVIRLWOC-SQJMNOBHSA-N 1 1 466.586 3.126 20 5 JGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164783970 721452753 /nfs/dbraw/zinc/45/27/53/721452753.db2.gz DBDDAJWDXQGCBG-FQEVSTJZSA-N 1 1 455.559 3.272 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164799931 721532402 /nfs/dbraw/zinc/53/24/02/721532402.db2.gz CDWOCIQSJLGGJA-ZWOKBUDYSA-N 1 1 475.933 3.083 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164799931 721532407 /nfs/dbraw/zinc/53/24/07/721532407.db2.gz CDWOCIQSJLGGJA-ZWOKBUDYSA-N 1 1 475.933 3.083 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]12 ZINC001164807764 721542586 /nfs/dbraw/zinc/54/25/86/721542586.db2.gz RDLPROZEDCFWFJ-ZCNNSNEGSA-N 1 1 454.918 3.455 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]12 ZINC001164807764 721542588 /nfs/dbraw/zinc/54/25/88/721542588.db2.gz RDLPROZEDCFWFJ-ZCNNSNEGSA-N 1 1 454.918 3.455 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]12 ZINC001164807763 721542700 /nfs/dbraw/zinc/54/27/00/721542700.db2.gz RDLPROZEDCFWFJ-XUVXKRRUSA-N 1 1 454.918 3.455 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]12 ZINC001164807763 721542703 /nfs/dbraw/zinc/54/27/03/721542703.db2.gz RDLPROZEDCFWFJ-XUVXKRRUSA-N 1 1 454.918 3.455 20 5 JGBDMO CSc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164805697 721559295 /nfs/dbraw/zinc/55/92/95/721559295.db2.gz ONURVMLZBAFESV-YCPHGPKFSA-N 1 1 450.952 3.023 20 5 JGBDMO CSc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164805697 721559298 /nfs/dbraw/zinc/55/92/98/721559298.db2.gz ONURVMLZBAFESV-YCPHGPKFSA-N 1 1 450.952 3.023 20 5 JGBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164915598 721794777 /nfs/dbraw/zinc/79/47/77/721794777.db2.gz WXSQINOOBCGLLA-HSZRJFAPSA-N 1 1 469.929 3.299 20 5 JGBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164915598 721794780 /nfs/dbraw/zinc/79/47/80/721794780.db2.gz WXSQINOOBCGLLA-HSZRJFAPSA-N 1 1 469.929 3.299 20 5 JGBDMO CCOC(=O)c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1[N+](=O)[O-] ZINC001165031218 721844631 /nfs/dbraw/zinc/84/46/31/721844631.db2.gz YOSDSEGHXNBNIW-UHFFFAOYSA-N 1 1 458.515 3.285 20 5 JGBDMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164946753 721972050 /nfs/dbraw/zinc/97/20/50/721972050.db2.gz VSNCZYFXEUAMDL-UHFFFAOYSA-N 1 1 466.929 3.162 20 5 JGBDMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164946753 721972053 /nfs/dbraw/zinc/97/20/53/721972053.db2.gz VSNCZYFXEUAMDL-UHFFFAOYSA-N 1 1 466.929 3.162 20 5 JGBDMO CN(C)/C=C/c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164962315 722059129 /nfs/dbraw/zinc/05/91/29/722059129.db2.gz QUXFIANSZHFFKC-BJMVGYQFSA-N 1 1 452.559 3.036 20 5 JGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981653 722142367 /nfs/dbraw/zinc/14/23/67/722142367.db2.gz PXUYXKUPUPORGV-KBPBESRZSA-N 1 1 472.855 3.179 20 5 JGBDMO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn4)CC[C@@H]32)cs1 ZINC001164988124 722184946 /nfs/dbraw/zinc/18/49/46/722184946.db2.gz LXICGZJUVGXVTM-GLFAUKJSSA-N 1 1 458.588 3.157 20 5 JGBDMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299008329 1064792579 /nfs/dbraw/zinc/79/25/79/1064792579.db2.gz YRFRYUUESGARJU-CEYNDMKZSA-N 1 1 483.617 3.184 20 5 JGBDMO CO[C@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001299750283 1064950067 /nfs/dbraw/zinc/95/00/67/1064950067.db2.gz NFBTXVZIPHZYLY-ZJSXRUAMSA-N 1 1 472.590 3.096 20 5 JGBDMO COC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301358778 1066149524 /nfs/dbraw/zinc/14/95/24/1066149524.db2.gz DJJLRJJDBDVCDK-XQBPLPMBSA-N 1 1 472.590 3.073 20 5 JGBDMO COCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301439882 1066245465 /nfs/dbraw/zinc/24/54/65/1066245465.db2.gz HRSCSHOUNFLIMA-XMMPIXPASA-N 1 1 472.590 3.096 20 5 JGBDMO CC(C)(C)Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302144230 1066592933 /nfs/dbraw/zinc/59/29/33/1066592933.db2.gz AZKJWDFVMSBJJI-UHFFFAOYSA-N 1 1 456.591 3.448 20 5 JGBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC001301783538 1066732547 /nfs/dbraw/zinc/73/25/47/1066732547.db2.gz QNRULCGOOMYWDT-JTHBVZDNSA-N 1 1 450.539 3.207 20 5 JGBDMO CC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301836450 1066806284 /nfs/dbraw/zinc/80/62/84/1066806284.db2.gz LCCBYCBXFGTBCQ-HXUWFJFHSA-N 1 1 483.617 3.326 20 5 JGBDMO COCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001301885956 1066895458 /nfs/dbraw/zinc/89/54/58/1066895458.db2.gz OPNRVGJVAQVBFA-UHFFFAOYSA-N 1 1 497.503 3.145 20 5 JGBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001301886196 1066896792 /nfs/dbraw/zinc/89/67/92/1066896792.db2.gz SISGBUGOWBBDBR-DFBJGRDBSA-N 1 1 486.617 3.342 20 5 JGBDMO CC(C)C(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001302393210 1066972619 /nfs/dbraw/zinc/97/26/19/1066972619.db2.gz FJQVHSXKAPRRAS-GOSISDBHSA-N 1 1 469.590 3.031 20 5 JGBDMO O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001303135894 1067676796 /nfs/dbraw/zinc/67/67/96/1067676796.db2.gz ZSCILOWXNVBIQH-LJQANCHMSA-N 1 1 498.506 3.123 20 5 JGBDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)F)C1 ZINC001303201835 1067737895 /nfs/dbraw/zinc/73/78/95/1067737895.db2.gz PWVWFFLTNMBOPE-GOSISDBHSA-N 1 1 452.506 3.302 20 5 JGBDMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001303268112 1067795878 /nfs/dbraw/zinc/79/58/78/1067795878.db2.gz ASMNIKKMJLJNSY-OAQYLSRUSA-N 1 1 457.579 3.095 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001303270755 1067799567 /nfs/dbraw/zinc/79/95/67/1067799567.db2.gz LCCBUKMOPWVTPM-LJQANCHMSA-N 1 1 471.606 3.325 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001303271760 1067800502 /nfs/dbraw/zinc/80/05/02/1067800502.db2.gz UKGCZULTMBIRCL-UHFFFAOYSA-N 1 1 456.469 3.087 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001303272182 1067801711 /nfs/dbraw/zinc/80/17/11/1067801711.db2.gz ZIWGJXMUKWPZNH-LJQANCHMSA-N 1 1 452.563 3.311 20 5 JGBDMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001303303170 1067828775 /nfs/dbraw/zinc/82/87/75/1067828775.db2.gz DERDRGADYIKRSY-LJQANCHMSA-N 1 1 464.574 3.443 20 5 JGBDMO CC(C)NC(=O)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303340673 1067869027 /nfs/dbraw/zinc/86/90/27/1067869027.db2.gz XTCXSCLIZPSOHX-FQEVSTJZSA-N 1 1 471.606 3.124 20 5 JGBDMO Cc1noc(C2(C)CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001304890120 1067934097 /nfs/dbraw/zinc/93/40/97/1067934097.db2.gz VQDUQXIBWKWMQJ-UHFFFAOYSA-N 1 1 468.562 3.443 20 5 JGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001304925458 1067969131 /nfs/dbraw/zinc/96/91/31/1067969131.db2.gz MDEWAQYWBLLDOX-HSALFYBXSA-N 1 1 483.617 3.278 20 5 JGBDMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305018673 1068064126 /nfs/dbraw/zinc/06/41/26/1068064126.db2.gz UQUCPVLSYJWOPO-MJGOQNOKSA-N 1 1 455.563 3.038 20 5 JGBDMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001305058314 1068121052 /nfs/dbraw/zinc/12/10/52/1068121052.db2.gz HJEPYTNHLDCARL-IAGOWNOFSA-N 1 1 481.523 3.410 20 5 JGBDMO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109129 1068179063 /nfs/dbraw/zinc/17/90/63/1068179063.db2.gz RMLXSHBMBXSGMO-DYXWJJEUSA-N 1 1 451.527 3.133 20 5 JGBDMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001303695373 1068238436 /nfs/dbraw/zinc/23/84/36/1068238436.db2.gz SYMQGPBZXXYZIO-QGZVFWFLSA-N 1 1 485.976 3.301 20 5 JGBDMO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(C)(C)O1 ZINC001305142845 1068240880 /nfs/dbraw/zinc/24/08/80/1068240880.db2.gz PPGMJTBTWPFJKJ-GHTZIAJQSA-N 1 1 472.590 3.094 20 5 JGBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001303697223 1068240884 /nfs/dbraw/zinc/24/08/84/1068240884.db2.gz WWMCAUVMFGXVAX-CQSZACIVSA-N 1 1 468.480 3.230 20 5 JGBDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001305606544 1068873673 /nfs/dbraw/zinc/87/36/73/1068873673.db2.gz JZLRHWOVYCSOCE-FQEVSTJZSA-N 1 1 498.632 3.312 20 5 JGBDMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001305619670 1068903379 /nfs/dbraw/zinc/90/33/79/1068903379.db2.gz PCSPOCIFMSHLPW-FQEVSTJZSA-N 1 1 478.601 3.229 20 5 JGBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164629036 719114680 /nfs/dbraw/zinc/11/46/80/719114680.db2.gz QGLYHSXFWDZJCG-TZIWHRDSSA-N 1 1 496.564 3.300 20 5 JGBDMO CCOC(=O)c1ccnc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1[N+](=O)[O-] ZINC001164711221 720151514 /nfs/dbraw/zinc/15/15/14/720151514.db2.gz GDMHWOADEJWRGI-IBGZPJMESA-N 1 1 469.542 3.069 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838921 720514729 /nfs/dbraw/zinc/51/47/29/720514729.db2.gz RXCFJXYSWQDMQX-RRFJBIMHSA-N 1 1 451.984 3.334 20 5 JGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164742724 720818683 /nfs/dbraw/zinc/81/86/83/720818683.db2.gz QRPZXRKJTDWVPD-ARFHVFGLSA-N 1 1 467.908 3.159 20 5 JGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744455 720819668 /nfs/dbraw/zinc/81/96/68/720819668.db2.gz UHCBUBQQRPQSQK-IJEWVQPXSA-N 1 1 452.346 3.268 20 5 JGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164740154 720822205 /nfs/dbraw/zinc/82/22/05/720822205.db2.gz JFKRANVHCFUSDC-QGPMSJSTSA-N 1 1 467.908 3.159 20 5 JGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738814 720826241 /nfs/dbraw/zinc/82/62/41/720826241.db2.gz GVIQYNQVNCFGSO-IIAWOOMASA-N 1 1 452.346 3.268 20 5 JGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cc1 ZINC001164748389 720845614 /nfs/dbraw/zinc/84/56/14/720845614.db2.gz UPZLDVWYUOPMDW-XKCSPQBFSA-N 1 1 460.542 3.023 20 5 JGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164753852 720860499 /nfs/dbraw/zinc/86/04/99/720860499.db2.gz YTRJNMOEBRWPFG-SZVBFZGTSA-N 1 1 468.949 3.162 20 5 JGBDMO Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754811 720870264 /nfs/dbraw/zinc/87/02/64/720870264.db2.gz SOFKTCQWYMKGQB-XXBNENTESA-N 1 1 472.977 3.497 20 5 JGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747860 720870969 /nfs/dbraw/zinc/87/09/69/720870969.db2.gz BYJVQXRDVLWGDQ-XMSQKQJNSA-N 1 1 458.950 3.188 20 5 JGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755249 720877773 /nfs/dbraw/zinc/87/77/73/720877773.db2.gz VJDPKDIHGZWNPA-AUSIDOKSSA-N 1 1 472.977 3.497 20 5 JGBDMO CCc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164872622 721160434 /nfs/dbraw/zinc/16/04/34/721160434.db2.gz HYCKKOVKXUPNDQ-DHIUTWEWSA-N 1 1 460.538 3.489 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776366 721347463 /nfs/dbraw/zinc/34/74/63/721347463.db2.gz ATAJVZJKDGCKGZ-HSZRJFAPSA-N 1 1 452.515 3.262 20 5 JGBDMO COc1cc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1[N+](=O)[O-] ZINC001164779108 721351161 /nfs/dbraw/zinc/35/11/61/721351161.db2.gz RAEWPCKNUAXGNG-DEOSSOPVSA-N 1 1 482.541 3.270 20 5 JGBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899788 721444320 /nfs/dbraw/zinc/44/43/20/721444320.db2.gz ZBRUOMIASCOBLM-DVECYGJZSA-N 1 1 487.004 3.471 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)[C@@H]2CCCO[C@@H]21 ZINC001164801849 721586540 /nfs/dbraw/zinc/58/65/40/721586540.db2.gz FYJRNTRWMXBLBC-BKULYWANSA-N 1 1 464.501 3.454 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)[C@@H]2CCCO[C@@H]21 ZINC001164801849 721586542 /nfs/dbraw/zinc/58/65/42/721586542.db2.gz FYJRNTRWMXBLBC-BKULYWANSA-N 1 1 464.501 3.454 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164908924 721745857 /nfs/dbraw/zinc/74/58/57/721745857.db2.gz OMLSRVCLPQODCP-UHFFFAOYSA-N 1 1 486.916 3.398 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164908924 721745861 /nfs/dbraw/zinc/74/58/61/721745861.db2.gz OMLSRVCLPQODCP-UHFFFAOYSA-N 1 1 486.916 3.398 20 5 JGBDMO CSc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1[N+](=O)[O-] ZINC001164962992 722056815 /nfs/dbraw/zinc/05/68/15/722056815.db2.gz GOBNYPBPYHJIPR-UHFFFAOYSA-N 1 1 464.979 3.274 20 5 JGBDMO Cc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164984650 722133534 /nfs/dbraw/zinc/13/35/34/722133534.db2.gz YFLWSYQIJWTSEK-ZJSXRUAMSA-N 1 1 460.538 3.483 20 5 JGBDMO Cc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164984649 722133563 /nfs/dbraw/zinc/13/35/63/722133563.db2.gz YFLWSYQIJWTSEK-XUZZJYLKSA-N 1 1 460.538 3.483 20 5 JGBDMO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn4)CC[C@H]32)cs1 ZINC001164988126 722184934 /nfs/dbraw/zinc/18/49/34/722184934.db2.gz LXICGZJUVGXVTM-OMNWYRBHSA-N 1 1 458.588 3.157 20 5 JGBDMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001299005479 1064787540 /nfs/dbraw/zinc/78/75/40/1064787540.db2.gz JBGYSTJIBMRCFH-KBMIEXCESA-N 1 1 483.617 3.470 20 5 JGBDMO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299075301 1064880095 /nfs/dbraw/zinc/88/00/95/1064880095.db2.gz UMWGLPBFCPXSAL-ZVDOUQERSA-N 1 1 483.617 3.184 20 5 JGBDMO CO[C@@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001299751341 1064951249 /nfs/dbraw/zinc/95/12/49/1064951249.db2.gz SICDNWTXWQKRKI-DEOSSOPVSA-N 1 1 472.590 3.360 20 5 JGBDMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C1CCCCC1 ZINC001301980190 1066286470 /nfs/dbraw/zinc/28/64/70/1066286470.db2.gz AEJPXUWLFRREOH-MSOLQXFVSA-N 1 1 492.646 3.376 20 5 JGBDMO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001301880374 1066885962 /nfs/dbraw/zinc/88/59/62/1066885962.db2.gz RSWYRXULWUEINC-UHFFFAOYSA-N 1 1 480.573 3.191 20 5 JGBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](OC)C(C)(C)C)C[C@H]1C ZINC001301884833 1066893562 /nfs/dbraw/zinc/89/35/62/1066893562.db2.gz CYJOSIWCHJSNSO-YLJYHZDGSA-N 1 1 460.579 3.071 20 5 JGBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccsc2)C[C@H]1C ZINC001301885964 1066895966 /nfs/dbraw/zinc/89/59/66/1066895966.db2.gz OTXGLPXGXIANEE-QGZVFWFLSA-N 1 1 456.572 3.314 20 5 JGBDMO COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001301886300 1066896602 /nfs/dbraw/zinc/89/66/02/1066896602.db2.gz UVQZHHOSDWGPTF-REWPJTCUSA-N 1 1 485.633 3.131 20 5 JGBDMO CC(C)C(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001302393212 1066972745 /nfs/dbraw/zinc/97/27/45/1066972745.db2.gz FJQVHSXKAPRRAS-SFHVURJKSA-N 1 1 469.590 3.031 20 5 JGBDMO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001302526411 1067151086 /nfs/dbraw/zinc/15/10/86/1067151086.db2.gz UXMINSBGSLHROA-HSZRJFAPSA-N 1 1 479.585 3.165 20 5 JGBDMO CS[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001302549452 1067185893 /nfs/dbraw/zinc/18/58/93/1067185893.db2.gz YFXQEWCUKUZOPN-QGZVFWFLSA-N 1 1 462.620 3.399 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001303277969 1067806129 /nfs/dbraw/zinc/80/61/29/1067806129.db2.gz XNEIMPMPXVFZTD-UHFFFAOYSA-N 1 1 470.553 3.294 20 5 JGBDMO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001305023639 1068077242 /nfs/dbraw/zinc/07/72/42/1068077242.db2.gz CLHWWKSQQBWQEU-MSOLQXFVSA-N 1 1 450.547 3.400 20 5 JGBDMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001305058304 1068121087 /nfs/dbraw/zinc/12/10/87/1068121087.db2.gz HGYDRPRCXNTLNR-LJQANCHMSA-N 1 1 483.617 3.421 20 5 JGBDMO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H]1C ZINC001305081726 1068154257 /nfs/dbraw/zinc/15/42/57/1068154257.db2.gz SLSDQGQCRVHWHS-OPYAIIAOSA-N 1 1 469.590 3.031 20 5 JGBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001303696394 1068239542 /nfs/dbraw/zinc/23/95/42/1068239542.db2.gz OLEJUWMJWNFXNK-INIZCTEOSA-N 1 1 481.523 3.410 20 5 JGBDMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCn2cc[nH+]c2C)C1 ZINC001305268851 1068459262 /nfs/dbraw/zinc/45/92/62/1068459262.db2.gz YOZAICSKYQNQOS-FQEVSTJZSA-N 1 1 480.573 3.334 20 5 JGBDMO CC[C@@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305452803 1068689481 /nfs/dbraw/zinc/68/94/81/1068689481.db2.gz KXNRDZKARCUUCF-QRVBRYPASA-N 1 1 474.610 3.237 20 5 JGBDMO CC[C@H](C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305523967 1068776959 /nfs/dbraw/zinc/77/69/59/1068776959.db2.gz QAODEKGWDMBEPU-FQEVSTJZSA-N 1 1 484.649 3.052 20 5 JGBDMO CC[C@H](C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305523967 1068776968 /nfs/dbraw/zinc/77/69/68/1068776968.db2.gz QAODEKGWDMBEPU-FQEVSTJZSA-N 1 1 484.649 3.052 20 5 JGBDMO CC[C@H](C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305523967 1068776978 /nfs/dbraw/zinc/77/69/78/1068776978.db2.gz QAODEKGWDMBEPU-FQEVSTJZSA-N 1 1 484.649 3.052 20 5 JGBDMO CC[C@@H](C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305523968 1068777184 /nfs/dbraw/zinc/77/71/84/1068777184.db2.gz QAODEKGWDMBEPU-HXUWFJFHSA-N 1 1 484.649 3.052 20 5 JGBDMO CC[C@@H](C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305523968 1068777193 /nfs/dbraw/zinc/77/71/93/1068777193.db2.gz QAODEKGWDMBEPU-HXUWFJFHSA-N 1 1 484.649 3.052 20 5 JGBDMO CC[C@@H](C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305523968 1068777198 /nfs/dbraw/zinc/77/71/98/1068777198.db2.gz QAODEKGWDMBEPU-HXUWFJFHSA-N 1 1 484.649 3.052 20 5 JGBDMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CC2 ZINC001164690618 719757608 /nfs/dbraw/zinc/75/76/08/719757608.db2.gz GFDSLAIHIOJXBN-UHFFFAOYSA-N 1 1 494.930 3.431 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838925 720514965 /nfs/dbraw/zinc/51/49/65/720514965.db2.gz RXCFJXYSWQDMQX-SOUVJXGZSA-N 1 1 451.984 3.334 20 5 JGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cnc1Cl ZINC001164748186 720811702 /nfs/dbraw/zinc/81/17/02/720811702.db2.gz PWLOPANAJLPSAA-DJIMGWMZSA-N 1 1 467.908 3.159 20 5 JGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164750354 720852028 /nfs/dbraw/zinc/85/20/28/720852028.db2.gz PNYIUODRYLRRHK-WOIUINJBSA-N 1 1 460.542 3.023 20 5 JGBDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)CC[C@H]2C1 ZINC001164863638 720891475 /nfs/dbraw/zinc/89/14/75/720891475.db2.gz SXJCRDXTXDIONB-JXFKEZNVSA-N 1 1 497.930 3.424 20 5 JGBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757188 720892439 /nfs/dbraw/zinc/89/24/39/720892439.db2.gz UFCAAZZBBBGGPK-CVDCTZTESA-N 1 1 473.961 3.032 20 5 JGBDMO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164747278 720929863 /nfs/dbraw/zinc/92/98/63/720929863.db2.gz CPKFXKBFDAISKZ-HFZDXXHNSA-N 1 1 495.580 3.317 20 5 JGBDMO CCc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164872627 721161541 /nfs/dbraw/zinc/16/15/41/721161541.db2.gz HYCKKOVKXUPNDQ-PKTZIBPZSA-N 1 1 460.538 3.489 20 5 JGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)ccc1F ZINC001164880683 721173835 /nfs/dbraw/zinc/17/38/35/721173835.db2.gz XAAMRHCLFUSYTQ-OALUTQOASA-N 1 1 450.474 3.066 20 5 JGBDMO COc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1[N+](=O)[O-] ZINC001164779109 721351718 /nfs/dbraw/zinc/35/17/18/721351718.db2.gz RAEWPCKNUAXGNG-XMMPIXPASA-N 1 1 482.541 3.270 20 5 JGBDMO CSc1nc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164779037 721353674 /nfs/dbraw/zinc/35/36/74/721353674.db2.gz PFCFEXHUBGVQMP-HXUWFJFHSA-N 1 1 482.994 3.484 20 5 JGBDMO CSc1nc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164779037 721353677 /nfs/dbraw/zinc/35/36/77/721353677.db2.gz PFCFEXHUBGVQMP-HXUWFJFHSA-N 1 1 482.994 3.484 20 5 JGBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164790320 721432187 /nfs/dbraw/zinc/43/21/87/721432187.db2.gz XOUOPZVGIILODR-HZPDHXFCSA-N 1 1 496.622 3.486 20 5 JGBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899786 721444291 /nfs/dbraw/zinc/44/42/91/721444291.db2.gz ZBRUOMIASCOBLM-CYFREDJKSA-N 1 1 487.004 3.471 20 5 JGBDMO COC(=O)c1nc(Cl)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164793759 721491803 /nfs/dbraw/zinc/49/18/03/721491803.db2.gz VIPPSDKDALWXEZ-UHFFFAOYSA-N 1 1 460.922 3.101 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]12 ZINC001164795093 721528504 /nfs/dbraw/zinc/52/85/04/721528504.db2.gz JHOWIYMRQHVCNI-NXHRZFHOSA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]12 ZINC001164795093 721528507 /nfs/dbraw/zinc/52/85/07/721528507.db2.gz JHOWIYMRQHVCNI-NXHRZFHOSA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164804077 721579352 /nfs/dbraw/zinc/57/93/52/721579352.db2.gz IEXZBRRHYKHBCI-UMVBOHGHSA-N 1 1 472.855 3.320 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164804077 721579357 /nfs/dbraw/zinc/57/93/57/721579357.db2.gz IEXZBRRHYKHBCI-UMVBOHGHSA-N 1 1 472.855 3.320 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165023937 721801591 /nfs/dbraw/zinc/80/15/91/721801591.db2.gz KGUFTIZGBNFWFA-USXIJHARSA-N 1 1 474.949 3.347 20 5 JGBDMO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)C1CCCC1 ZINC001298365050 1064221178 /nfs/dbraw/zinc/22/11/78/1064221178.db2.gz NBPJFLOFKPDSBC-UHFFFAOYSA-N 1 1 478.557 3.344 20 5 JGBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298615225 1064387217 /nfs/dbraw/zinc/38/72/17/1064387217.db2.gz NDQXZKMUEYVLMS-FQEVSTJZSA-N 1 1 456.591 3.491 20 5 JGBDMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001299005475 1064787437 /nfs/dbraw/zinc/78/74/37/1064787437.db2.gz JBGYSTJIBMRCFH-CLOONOSVSA-N 1 1 483.617 3.470 20 5 JGBDMO C[C@H]([C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C1CCCCC1)S(C)(=O)=O ZINC001301980193 1066286351 /nfs/dbraw/zinc/28/63/51/1066286351.db2.gz AEJPXUWLFRREOH-ZWKOTPCHSA-N 1 1 492.646 3.376 20 5 JGBDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001302195712 1066685024 /nfs/dbraw/zinc/68/50/24/1066685024.db2.gz WDKAUYCAZIIMQB-UHFFFAOYSA-N 1 1 469.590 3.210 20 5 JGBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001301884832 1066893521 /nfs/dbraw/zinc/89/35/21/1066893521.db2.gz CYJOSIWCHJSNSO-XLIONFOSSA-N 1 1 460.579 3.071 20 5 JGBDMO CC1(C)COCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001303980852 1067028419 /nfs/dbraw/zinc/02/84/19/1067028419.db2.gz BDLUJIZMDYYHAV-KRWDZBQOSA-N 1 1 464.517 3.446 20 5 JGBDMO CC1(C)COCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001303980852 1067028434 /nfs/dbraw/zinc/02/84/34/1067028434.db2.gz BDLUJIZMDYYHAV-KRWDZBQOSA-N 1 1 464.517 3.446 20 5 JGBDMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001302525290 1067147798 /nfs/dbraw/zinc/14/77/98/1067147798.db2.gz RPHGIEWRYCJPRB-GGAORHGYSA-N 1 1 486.617 3.116 20 5 JGBDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCCCC2)C[C@H](C)O1 ZINC001302901518 1067485529 /nfs/dbraw/zinc/48/55/29/1067485529.db2.gz KXZOELHZGUOQNM-KDURUIRLSA-N 1 1 472.590 3.094 20 5 JGBDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCCCC2)C[C@H](C)O1 ZINC001302901518 1067485535 /nfs/dbraw/zinc/48/55/35/1067485535.db2.gz KXZOELHZGUOQNM-KDURUIRLSA-N 1 1 472.590 3.094 20 5 JGBDMO Cc1csc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001304630853 1067701006 /nfs/dbraw/zinc/70/10/06/1067701006.db2.gz HJHPKFYIHMAJBE-UHFFFAOYSA-N 1 1 471.587 3.214 20 5 JGBDMO Cc1csc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001304630853 1067701011 /nfs/dbraw/zinc/70/10/11/1067701011.db2.gz HJHPKFYIHMAJBE-UHFFFAOYSA-N 1 1 471.587 3.214 20 5 JGBDMO Cc1[nH+]ccn1CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001304705809 1067778691 /nfs/dbraw/zinc/77/86/91/1067778691.db2.gz VHFRDWINMJMTSR-GOSISDBHSA-N 1 1 480.573 3.142 20 5 JGBDMO C[C@@H]1CCCC[N@H+]1CCCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1C(C)(C)C ZINC001305020356 1068067887 /nfs/dbraw/zinc/06/78/87/1068067887.db2.gz OJGHLZZXBHVRHC-LJQANCHMSA-N 1 1 470.622 3.470 20 5 JGBDMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001305023466 1068076833 /nfs/dbraw/zinc/07/68/33/1068076833.db2.gz SGGBRWFWDKYMIB-QZTJIDSGSA-N 1 1 469.590 3.031 20 5 JGBDMO 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/nfs/dbraw/zinc/87/13/05/1064871305.db2.gz DYDBXDQIRDDZBU-CTNGQTDRSA-N 1 1 483.617 3.470 20 5 JGBDMO CO[C@@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001299750277 1064950120 /nfs/dbraw/zinc/95/01/20/1064950120.db2.gz NFBTXVZIPHZYLY-QPPBQGQZSA-N 1 1 472.590 3.096 20 5 JGBDMO COC[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301237017 1066054467 /nfs/dbraw/zinc/05/44/67/1066054467.db2.gz KULSAOYVBKWCPT-FQEVSTJZSA-N 1 1 485.633 3.132 20 5 JGBDMO COC[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301237017 1066054480 /nfs/dbraw/zinc/05/44/80/1066054480.db2.gz KULSAOYVBKWCPT-FQEVSTJZSA-N 1 1 485.633 3.132 20 5 JGBDMO COC[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301237017 1066054493 /nfs/dbraw/zinc/05/44/93/1066054493.db2.gz KULSAOYVBKWCPT-FQEVSTJZSA-N 1 1 485.633 3.132 20 5 JGBDMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C1CCCCC1 ZINC001301980191 1066286401 /nfs/dbraw/zinc/28/64/01/1066286401.db2.gz AEJPXUWLFRREOH-QZTJIDSGSA-N 1 1 492.646 3.376 20 5 JGBDMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001301985612 1066296372 /nfs/dbraw/zinc/29/63/72/1066296372.db2.gz YVKHPCSFJFDNKQ-WWMYMODYSA-N 1 1 490.630 3.128 20 5 JGBDMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001301985612 1066296387 /nfs/dbraw/zinc/29/63/87/1066296387.db2.gz YVKHPCSFJFDNKQ-WWMYMODYSA-N 1 1 490.630 3.128 20 5 JGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001301878149 1066881070 /nfs/dbraw/zinc/88/10/70/1066881070.db2.gz BLXRWDRMSAMMTD-QRQLOZEOSA-N 1 1 456.568 3.288 20 5 JGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001301878146 1066881328 /nfs/dbraw/zinc/88/13/28/1066881328.db2.gz BLXRWDRMSAMMTD-BHIYHBOVSA-N 1 1 456.568 3.288 20 5 JGBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccsc2)C[C@@H]1C ZINC001301885963 1066895308 /nfs/dbraw/zinc/89/53/08/1066895308.db2.gz OTXGLPXGXIANEE-KRWDZBQOSA-N 1 1 456.572 3.314 20 5 JGBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)C2CCCCC2)C[C@H]1C ZINC001301886194 1066896566 /nfs/dbraw/zinc/89/65/66/1066896566.db2.gz SISGBUGOWBBDBR-CLOONOSVSA-N 1 1 486.617 3.342 20 5 JGBDMO CC1=C(Br)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001303998823 1067041442 /nfs/dbraw/zinc/04/14/42/1067041442.db2.gz IDHTWVXFMROQER-MRXNPFEDSA-N 1 1 491.390 3.453 20 5 JGBDMO CC(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302638651 1067268194 /nfs/dbraw/zinc/26/81/94/1067268194.db2.gz OHDCPHJRWITBKO-UHFFFAOYSA-N 1 1 485.633 3.384 20 5 JGBDMO CC(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302638651 1067268201 /nfs/dbraw/zinc/26/82/01/1067268201.db2.gz OHDCPHJRWITBKO-UHFFFAOYSA-N 1 1 485.633 3.384 20 5 JGBDMO CC(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302638651 1067268207 /nfs/dbraw/zinc/26/82/07/1067268207.db2.gz OHDCPHJRWITBKO-UHFFFAOYSA-N 1 1 485.633 3.384 20 5 JGBDMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001302853902 1067438263 /nfs/dbraw/zinc/43/82/63/1067438263.db2.gz ZDWOQXVTKNHWIY-GOSISDBHSA-N 1 1 458.946 3.491 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001303272181 1067801077 /nfs/dbraw/zinc/80/10/77/1067801077.db2.gz ZIWGJXMUKWPZNH-IBGZPJMESA-N 1 1 452.563 3.311 20 5 JGBDMO CC(C)NC(=O)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303340674 1067869067 /nfs/dbraw/zinc/86/90/67/1067869067.db2.gz XTCXSCLIZPSOHX-HXUWFJFHSA-N 1 1 471.606 3.124 20 5 JGBDMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305013897 1068054324 /nfs/dbraw/zinc/05/43/24/1068054324.db2.gz BBMDMOBXRQPWGR-GOSISDBHSA-N 1 1 452.563 3.488 20 5 JGBDMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305013898 1068055275 /nfs/dbraw/zinc/05/52/75/1068055275.db2.gz BBMDMOBXRQPWGR-SFHVURJKSA-N 1 1 452.563 3.488 20 5 JGBDMO CC(C)OCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCCCC2)CC1 ZINC001303569713 1068092303 /nfs/dbraw/zinc/09/23/03/1068092303.db2.gz GHMXRLWRJSSXHZ-UHFFFAOYSA-N 1 1 485.633 3.276 20 5 JGBDMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305057862 1068120347 /nfs/dbraw/zinc/12/03/47/1068120347.db2.gz DMNPEHHIDNDHHX-SFHVURJKSA-N 1 1 469.590 3.032 20 5 JGBDMO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305142847 1068240850 /nfs/dbraw/zinc/24/08/50/1068240850.db2.gz PPGMJTBTWPFJKJ-NQIIRXRSSA-N 1 1 472.590 3.094 20 5 JGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303760114 1068326012 /nfs/dbraw/zinc/32/60/12/1068326012.db2.gz VIFDKGWJSFZUQQ-RBBKRZOGSA-N 1 1 486.617 3.464 20 5 JGBDMO CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305688312 1069051766 /nfs/dbraw/zinc/05/17/66/1069051766.db2.gz SWFYZGQZXLCWCD-LJQANCHMSA-N 1 1 472.590 3.217 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164694725 719886574 /nfs/dbraw/zinc/88/65/74/719886574.db2.gz DGEGTDIGLKCNIJ-UHFFFAOYSA-N 1 1 481.962 3.148 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164694725 719886575 /nfs/dbraw/zinc/88/65/75/719886575.db2.gz DGEGTDIGLKCNIJ-UHFFFAOYSA-N 1 1 481.962 3.148 20 5 JGBDMO Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164813476 720240135 /nfs/dbraw/zinc/24/01/35/720240135.db2.gz OTNKEGDHVBXQQM-UHFFFAOYSA-N 1 1 463.542 3.167 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839406 720514375 /nfs/dbraw/zinc/51/43/75/720514375.db2.gz UBICMPKUVJTNCP-JFIYKMOQSA-N 1 1 476.965 3.394 20 5 JGBDMO CCOC(=O)c1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164842841 720724021 /nfs/dbraw/zinc/72/40/21/720724021.db2.gz ZFYVROUYFIXRMZ-LJQANCHMSA-N 1 1 454.527 3.426 20 5 JGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164742728 720818423 /nfs/dbraw/zinc/81/84/23/720818423.db2.gz QRPZXRKJTDWVPD-BZUAXINKSA-N 1 1 467.908 3.159 20 5 JGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164742736 720818488 /nfs/dbraw/zinc/81/84/88/720818488.db2.gz QRPZXRKJTDWVPD-OWCLPIDISA-N 1 1 467.908 3.159 20 5 JGBDMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164755101 720884714 /nfs/dbraw/zinc/88/47/14/720884714.db2.gz KRODAMDHAZQOAW-YKSBVNFPSA-N 1 1 453.543 3.149 20 5 JGBDMO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164747286 720929285 /nfs/dbraw/zinc/92/92/85/720929285.db2.gz CPKFXKBFDAISKZ-QFQXNSOFSA-N 1 1 495.580 3.317 20 5 JGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164778785 721339394 /nfs/dbraw/zinc/33/93/94/721339394.db2.gz OOUXWZOQGRFYOB-HSZRJFAPSA-N 1 1 452.515 3.262 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164778785 721339399 /nfs/dbraw/zinc/33/93/99/721339399.db2.gz OOUXWZOQGRFYOB-HSZRJFAPSA-N 1 1 452.515 3.262 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164780115 721347494 /nfs/dbraw/zinc/34/74/94/721347494.db2.gz ZUZKFAYAPOPBFC-HSZRJFAPSA-N 1 1 452.515 3.262 20 5 JGBDMO CSc1nc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164779036 721353106 /nfs/dbraw/zinc/35/31/06/721353106.db2.gz PFCFEXHUBGVQMP-FQEVSTJZSA-N 1 1 482.994 3.484 20 5 JGBDMO CSc1nc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164779036 721353110 /nfs/dbraw/zinc/35/31/10/721353110.db2.gz PFCFEXHUBGVQMP-FQEVSTJZSA-N 1 1 482.994 3.484 20 5 JGBDMO Cc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)cc1[N+](=O)[O-] ZINC001164898636 721425973 /nfs/dbraw/zinc/42/59/73/721425973.db2.gz WGKXKKQVIRLWOC-OFVILXPXSA-N 1 1 466.586 3.126 20 5 JGBDMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164898334 721439481 /nfs/dbraw/zinc/43/94/81/721439481.db2.gz VQRKUEUPXJZKFN-RDGATRHJSA-N 1 1 466.586 3.126 20 5 JGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164787152 721470808 /nfs/dbraw/zinc/47/08/08/721470808.db2.gz CSUQRDZNUSZWST-IBGZPJMESA-N 1 1 455.559 3.272 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164810696 721532619 /nfs/dbraw/zinc/53/26/19/721532619.db2.gz XYDCNPUKICDPII-YCPHGPKFSA-N 1 1 450.952 3.023 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164810696 721532620 /nfs/dbraw/zinc/53/26/20/721532620.db2.gz XYDCNPUKICDPII-YCPHGPKFSA-N 1 1 450.952 3.023 20 5 JGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164982266 722101670 /nfs/dbraw/zinc/10/16/70/722101670.db2.gz NCXGTOKVZLOWGN-YJBOKZPZSA-N 1 1 453.877 3.310 20 5 JGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164978271 722108218 /nfs/dbraw/zinc/10/82/18/722108218.db2.gz ODTXLURHKGTYJK-OXJNMPFZSA-N 1 1 454.918 3.314 20 5 JGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971382 722108455 /nfs/dbraw/zinc/10/84/55/722108455.db2.gz BUGSOJJCJZNSHO-HRAATJIYSA-N 1 1 454.918 3.314 20 5 JGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971067 722157043 /nfs/dbraw/zinc/15/70/43/722157043.db2.gz AIBQTPGLVFMMQB-OXJNMPFZSA-N 1 1 454.918 3.314 20 5 JGBDMO CN(CC(F)(F)F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298239625 1064144035 /nfs/dbraw/zinc/14/40/35/1064144035.db2.gz GNNMSBNSENKXMQ-KRWDZBQOSA-N 1 1 456.469 3.089 20 5 JGBDMO CO[C@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001299751342 1064951332 /nfs/dbraw/zinc/95/13/32/1064951332.db2.gz SICDNWTXWQKRKI-XMMPIXPASA-N 1 1 472.590 3.360 20 5 JGBDMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001301653035 1066521373 /nfs/dbraw/zinc/52/13/73/1066521373.db2.gz NXWQXHFHUQHOPA-HXUWFJFHSA-N 1 1 483.617 3.280 20 5 JGBDMO CC(C)(C)Cc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302165654 1066628069 /nfs/dbraw/zinc/62/80/69/1066628069.db2.gz MYOVUTTWEJXLPD-UHFFFAOYSA-N 1 1 485.633 3.212 20 5 JGBDMO CC(C)(C)Cc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302165654 1066628072 /nfs/dbraw/zinc/62/80/72/1066628072.db2.gz MYOVUTTWEJXLPD-UHFFFAOYSA-N 1 1 485.633 3.212 20 5 JGBDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCSC2)CC1 ZINC001302195474 1066684391 /nfs/dbraw/zinc/68/43/91/1066684391.db2.gz RODKASRBKOGVEM-JOCHJYFZSA-N 1 1 460.604 3.032 20 5 JGBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC001301783536 1066732051 /nfs/dbraw/zinc/73/20/51/1066732051.db2.gz QNRULCGOOMYWDT-GGAORHGYSA-N 1 1 450.539 3.207 20 5 JGBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001303173054 1067707047 /nfs/dbraw/zinc/70/70/47/1067707047.db2.gz OXALOHPNRFPBRT-HXUWFJFHSA-N 1 1 483.617 3.313 20 5 JGBDMO CC(C)[N@@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303261480 1067787681 /nfs/dbraw/zinc/78/76/81/1067787681.db2.gz JVUJTCHWCKIEHG-KRWDZBQOSA-N 1 1 456.469 3.351 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001303271804 1067800605 /nfs/dbraw/zinc/80/06/05/1067800605.db2.gz WHZMJWDUAVGJJI-UHFFFAOYSA-N 1 1 469.590 3.175 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001303272180 1067801007 /nfs/dbraw/zinc/80/10/07/1067801007.db2.gz ZFOGEABNABIZQJ-UHFFFAOYSA-N 1 1 458.563 3.315 20 5 JGBDMO C[C@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001305017951 1068062311 /nfs/dbraw/zinc/06/23/11/1068062311.db2.gz MQJCULZTUNCJEZ-FQEVSTJZSA-N 1 1 483.617 3.366 20 5 JGBDMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001305021381 1068070828 /nfs/dbraw/zinc/07/08/28/1068070828.db2.gz VXALQSCRSIDOTO-FQEVSTJZSA-N 1 1 497.644 3.498 20 5 JGBDMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001305025286 1068080026 /nfs/dbraw/zinc/08/00/26/1068080026.db2.gz LZCAHYXVIUPNMP-OALUTQOASA-N 1 1 466.590 3.386 20 5 JGBDMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001305048440 1068107895 /nfs/dbraw/zinc/10/78/95/1068107895.db2.gz GECPHBWUAYXWNT-NRFANRHFSA-N 1 1 499.660 3.380 20 5 JGBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001303696395 1068239584 /nfs/dbraw/zinc/23/95/84/1068239584.db2.gz OLEJUWMJWNFXNK-MRXNPFEDSA-N 1 1 481.523 3.410 20 5 JGBDMO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCN(CC[NH+](C)C)CC2)CC(C)(C)O1 ZINC001305142484 1068239772 /nfs/dbraw/zinc/23/97/72/1068239772.db2.gz NXQMFXPZJNQDCL-IBGZPJMESA-N 1 1 485.633 3.131 20 5 JGBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCc2cccs2)CC1)[NH+](C)C ZINC001303697287 1068240773 /nfs/dbraw/zinc/24/07/73/1068240773.db2.gz XTJYCCKXZMJEKN-GOSISDBHSA-N 1 1 469.615 3.230 20 5 JGBDMO CC[C@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305452801 1068688912 /nfs/dbraw/zinc/68/89/12/1068688912.db2.gz KXNRDZKARCUUCF-GBESFXJTSA-N 1 1 474.610 3.237 20 5 JGBDMO CC[C@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305452517 1068688961 /nfs/dbraw/zinc/68/89/61/1068688961.db2.gz HHXHGIHSSWSXNT-IBGZPJMESA-N 1 1 487.653 3.011 20 5 JGBDMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305526674 1068780210 /nfs/dbraw/zinc/78/02/10/1068780210.db2.gz KUEFJJOGVYCECE-OAQYLSRUSA-N 1 1 484.649 3.054 20 5 JGBDMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305528581 1068783134 /nfs/dbraw/zinc/78/31/34/1068783134.db2.gz XVZISXCNTHIRCV-LJQANCHMSA-N 1 1 471.606 3.137 20 5 JGBDMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305528581 1068783144 /nfs/dbraw/zinc/78/31/44/1068783144.db2.gz XVZISXCNTHIRCV-LJQANCHMSA-N 1 1 471.606 3.137 20 5 JGBDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001305606549 1068873696 /nfs/dbraw/zinc/87/36/96/1068873696.db2.gz JZLRHWOVYCSOCE-HXUWFJFHSA-N 1 1 498.632 3.312 20 5 JGBDMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164835359 720553925 /nfs/dbraw/zinc/55/39/25/720553925.db2.gz GYXBYDPQUGXERW-QLFBSQMISA-N 1 1 451.984 3.334 20 5 JGBDMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164835362 720554239 /nfs/dbraw/zinc/55/42/39/720554239.db2.gz GYXBYDPQUGXERW-RBSFLKMASA-N 1 1 451.984 3.334 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164843233 720664040 /nfs/dbraw/zinc/66/40/40/720664040.db2.gz VRVYOYZEHJYVFF-QGZVFWFLSA-N 1 1 489.960 3.475 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164843232 720664575 /nfs/dbraw/zinc/66/45/75/720664575.db2.gz VRVYOYZEHJYVFF-KRWDZBQOSA-N 1 1 489.960 3.475 20 5 JGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164737737 720820266 /nfs/dbraw/zinc/82/02/66/720820266.db2.gz CIFQDYFKEDYSEV-XAUMDUMWSA-N 1 1 468.949 3.162 20 5 JGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164737735 720820279 /nfs/dbraw/zinc/82/02/79/720820279.db2.gz CIFQDYFKEDYSEV-RIFZZMRRSA-N 1 1 468.949 3.162 20 5 JGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738816 720826123 /nfs/dbraw/zinc/82/61/23/720826123.db2.gz GVIQYNQVNCFGSO-OFQRWUPVSA-N 1 1 452.346 3.268 20 5 JGBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164750343 720852233 /nfs/dbraw/zinc/85/22/33/720852233.db2.gz PNYIUODRYLRRHK-CNNODRBYSA-N 1 1 460.542 3.023 20 5 JGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)ccc1F ZINC001164753573 720854859 /nfs/dbraw/zinc/85/48/59/720854859.db2.gz YDVYKTAHZQSFIY-NNMXDRDESA-N 1 1 478.532 3.162 20 5 JGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747848 720870868 /nfs/dbraw/zinc/87/08/68/720870868.db2.gz BYJVQXRDVLWGDQ-AVRDEDQJSA-N 1 1 458.950 3.188 20 5 JGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755255 720878103 /nfs/dbraw/zinc/87/81/03/720878103.db2.gz VJDPKDIHGZWNPA-XXBNENTESA-N 1 1 472.977 3.497 20 5 JGBDMO COc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751611 720886827 /nfs/dbraw/zinc/88/68/27/720886827.db2.gz CQHWRDCSRAGQAN-HYBUGGRVSA-N 1 1 453.543 3.149 20 5 JGBDMO COc1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754015 720887012 /nfs/dbraw/zinc/88/70/12/720887012.db2.gz IEAVHPZVBBPXQV-OFVILXPXSA-N 1 1 467.570 3.457 20 5 JGBDMO COc1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754016 720887106 /nfs/dbraw/zinc/88/71/06/720887106.db2.gz IEAVHPZVBBPXQV-PXDATVDWSA-N 1 1 467.570 3.457 20 5 JGBDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)CC[C@H]2C1 ZINC001164859421 720892323 /nfs/dbraw/zinc/89/23/23/720892323.db2.gz QGZBUXMJJMAIFW-YWZLYKJASA-N 1 1 497.930 3.424 20 5 JGBDMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164898337 721439593 /nfs/dbraw/zinc/43/95/93/721439593.db2.gz VQRKUEUPXJZKFN-WIOPSUGQSA-N 1 1 466.586 3.126 20 5 JGBDMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164898325 721439863 /nfs/dbraw/zinc/43/98/63/721439863.db2.gz VQRKUEUPXJZKFN-DHLKQENFSA-N 1 1 466.586 3.126 20 5 JGBDMO CCc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164896120 721440118 /nfs/dbraw/zinc/44/01/18/721440118.db2.gz QOJMOIXFCRKKHC-JYFHCDHNSA-N 1 1 480.613 3.380 20 5 JGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)CC2 ZINC001164790639 721466951 /nfs/dbraw/zinc/46/69/51/721466951.db2.gz SYBMBJOBYXCLJI-OUZREKFBSA-N 1 1 473.618 3.256 20 5 JGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164787154 721470988 /nfs/dbraw/zinc/47/09/88/721470988.db2.gz CSUQRDZNUSZWST-LJQANCHMSA-N 1 1 455.559 3.272 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901607 721515519 /nfs/dbraw/zinc/51/55/19/721515519.db2.gz XPITTYKZIIYCEL-HOCLYGCPSA-N 1 1 464.881 3.301 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164808416 721539610 /nfs/dbraw/zinc/53/96/10/721539610.db2.gz RXPUOIFITUFLPF-YXJHDRRASA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164808416 721539615 /nfs/dbraw/zinc/53/96/15/721539615.db2.gz RXPUOIFITUFLPF-YXJHDRRASA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@H]2CCCO[C@H]12 ZINC001164801747 721591199 /nfs/dbraw/zinc/59/11/99/721591199.db2.gz FOGJKYFDOGZRJQ-DSKINZAPSA-N 1 1 454.918 3.455 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@H]2CCCO[C@H]12 ZINC001164801747 721591201 /nfs/dbraw/zinc/59/12/01/721591201.db2.gz FOGJKYFDOGZRJQ-DSKINZAPSA-N 1 1 454.918 3.455 20 5 JGBDMO CCOC(=O)c1ccnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164911743 721765071 /nfs/dbraw/zinc/76/50/71/721765071.db2.gz RNDAKVCVBYVWDN-UHFFFAOYSA-N 1 1 451.483 3.349 20 5 JGBDMO CCOC(=O)c1ccnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164911743 721765075 /nfs/dbraw/zinc/76/50/75/721765075.db2.gz RNDAKVCVBYVWDN-UHFFFAOYSA-N 1 1 451.483 3.349 20 5 JGBDMO COC(=O)c1nc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939709 721922859 /nfs/dbraw/zinc/92/28/59/721922859.db2.gz LLVWSTFZOBIQSM-UHFFFAOYSA-N 1 1 475.933 3.005 20 5 JGBDMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164945604 721982110 /nfs/dbraw/zinc/98/21/10/721982110.db2.gz BLJQMQFIIFOQPW-UHFFFAOYSA-N 1 1 466.929 3.162 20 5 JGBDMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164945604 721982112 /nfs/dbraw/zinc/98/21/12/721982112.db2.gz BLJQMQFIIFOQPW-UHFFFAOYSA-N 1 1 466.929 3.162 20 5 JGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164977312 722109848 /nfs/dbraw/zinc/10/98/48/722109848.db2.gz MNDVTFUSJUKICW-MAUKXSAKSA-N 1 1 453.877 3.310 20 5 JGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981661 722142408 /nfs/dbraw/zinc/14/24/08/722142408.db2.gz PXUYXKUPUPORGV-ZIAGYGMSSA-N 1 1 472.855 3.179 20 5 JGBDMO CC[C@@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001305882474 1069436272 /nfs/dbraw/zinc/43/62/72/1069436272.db2.gz OXTKQWAMBYRWBZ-URXFXBBRSA-N 1 1 472.590 3.096 20 5 JGBDMO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298615226 1064387162 /nfs/dbraw/zinc/38/71/62/1064387162.db2.gz NDQXZKMUEYVLMS-HXUWFJFHSA-N 1 1 456.591 3.491 20 5 JGBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1OCCC1(C)C ZINC001298727871 1064538334 /nfs/dbraw/zinc/53/83/34/1064538334.db2.gz KAJWYXUIFMVSEQ-HXUWFJFHSA-N 1 1 472.590 3.215 20 5 JGBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1OCCC1(C)C ZINC001298727871 1064538355 /nfs/dbraw/zinc/53/83/55/1064538355.db2.gz KAJWYXUIFMVSEQ-HXUWFJFHSA-N 1 1 472.590 3.215 20 5 JGBDMO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301358776 1066148911 /nfs/dbraw/zinc/14/89/11/1066148911.db2.gz DJJLRJJDBDVCDK-JQVVWYNYSA-N 1 1 472.590 3.073 20 5 JGBDMO COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001301886296 1066896548 /nfs/dbraw/zinc/89/65/48/1066896548.db2.gz UVQZHHOSDWGPTF-NFBKMPQASA-N 1 1 485.633 3.131 20 5 JGBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCSC2)C[C@@H]1C ZINC001301886310 1066897254 /nfs/dbraw/zinc/89/72/54/1066897254.db2.gz VBFQXWZMFCRSFD-ROUUACIJSA-N 1 1 460.604 3.153 20 5 JGBDMO CC(C)C(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001302421041 1067006610 /nfs/dbraw/zinc/00/66/10/1067006610.db2.gz ITTJAIBYVSWJIZ-UHFFFAOYSA-N 1 1 483.617 3.469 20 5 JGBDMO CS[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001302549457 1067185914 /nfs/dbraw/zinc/18/59/14/1067185914.db2.gz YJPJFSVOTLZNOX-KRWDZBQOSA-N 1 1 470.603 3.051 20 5 JGBDMO Cc1cc(C)nc(N2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001304192064 1067242681 /nfs/dbraw/zinc/24/26/81/1067242681.db2.gz XDXPZLTZYFFPFH-UHFFFAOYSA-N 1 1 493.616 3.317 20 5 JGBDMO CSC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302696893 1067322542 /nfs/dbraw/zinc/32/25/42/1067322542.db2.gz QPPRPGVXXJXTMX-FQEVSTJZSA-N 1 1 473.647 3.211 20 5 JGBDMO CSC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302696893 1067322552 /nfs/dbraw/zinc/32/25/52/1067322552.db2.gz QPPRPGVXXJXTMX-FQEVSTJZSA-N 1 1 473.647 3.211 20 5 JGBDMO CSC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302696893 1067322562 /nfs/dbraw/zinc/32/25/62/1067322562.db2.gz QPPRPGVXXJXTMX-FQEVSTJZSA-N 1 1 473.647 3.211 20 5 JGBDMO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001303072844 1067607352 /nfs/dbraw/zinc/60/73/52/1067607352.db2.gz GMXRPAHIUIXGJR-QHCPKHFHSA-N 1 1 485.633 3.131 20 5 JGBDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001303176604 1067709202 /nfs/dbraw/zinc/70/92/02/1067709202.db2.gz QCBMZARKTJBJSR-OAQYLSRUSA-N 1 1 497.644 3.469 20 5 JGBDMO Cc1[nH+]ccn1CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001304705811 1067778681 /nfs/dbraw/zinc/77/86/81/1067778681.db2.gz VHFRDWINMJMTSR-SFHVURJKSA-N 1 1 480.573 3.142 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001303277314 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ZINC001303546998 1068074218 /nfs/dbraw/zinc/07/42/18/1068074218.db2.gz QQORDPMARWTOSH-LJQANCHMSA-N 1 1 472.590 3.358 20 5 JGBDMO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001305023641 1068077087 /nfs/dbraw/zinc/07/70/87/1068077087.db2.gz CLHWWKSQQBWQEU-ROUUACIJSA-N 1 1 450.547 3.400 20 5 JGBDMO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001305023640 1068077595 /nfs/dbraw/zinc/07/75/95/1068077595.db2.gz CLHWWKSQQBWQEU-QZTJIDSGSA-N 1 1 450.547 3.400 20 5 JGBDMO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC001305023642 1068077658 /nfs/dbraw/zinc/07/76/58/1068077658.db2.gz CLHWWKSQQBWQEU-ZWKOTPCHSA-N 1 1 450.547 3.400 20 5 JGBDMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC001305025288 1068079995 /nfs/dbraw/zinc/07/99/95/1068079995.db2.gz LZCAHYXVIUPNMP-RTBURBONSA-N 1 1 466.590 3.386 20 5 JGBDMO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109134 1068179119 /nfs/dbraw/zinc/17/91/19/1068179119.db2.gz RMLXSHBMBXSGMO-SVFBPWRDSA-N 1 1 451.527 3.133 20 5 JGBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303695364 1068238301 /nfs/dbraw/zinc/23/83/01/1068238301.db2.gz IMZOWUKYLQIMJB-DOTOQJQBSA-N 1 1 468.480 3.353 20 5 JGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccn2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001303700728 1068243936 /nfs/dbraw/zinc/24/39/36/1068243936.db2.gz HWRSEOJHEVOQCD-LJQANCHMSA-N 1 1 465.558 3.384 20 5 JGBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)OC(C)(C)C ZINC001305219153 1068356223 /nfs/dbraw/zinc/35/62/23/1068356223.db2.gz AYJCXJJSUGNBIF-VQIMIIECSA-N 1 1 471.562 3.051 20 5 JGBDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305607814 1068877317 /nfs/dbraw/zinc/87/73/17/1068877317.db2.gz 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ZINC001164779054 721339855 /nfs/dbraw/zinc/33/98/55/721339855.db2.gz PTRJLFDDESXYGA-FQEVSTJZSA-N 1 1 450.927 3.070 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164779054 721339860 /nfs/dbraw/zinc/33/98/60/721339860.db2.gz PTRJLFDDESXYGA-FQEVSTJZSA-N 1 1 450.927 3.070 20 5 JGBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164790322 721431900 /nfs/dbraw/zinc/43/19/00/721431900.db2.gz XOUOPZVGIILODR-IYBDPMFKSA-N 1 1 496.622 3.486 20 5 JGBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164790322 721431903 /nfs/dbraw/zinc/43/19/03/721431903.db2.gz XOUOPZVGIILODR-IYBDPMFKSA-N 1 1 496.622 3.486 20 5 JGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])CC2 ZINC001164788569 721461325 /nfs/dbraw/zinc/46/13/25/721461325.db2.gz UFINMWWXYMTMOP-INIZCTEOSA-N 1 1 486.038 3.494 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164792541 721490654 /nfs/dbraw/zinc/49/06/54/721490654.db2.gz KPJKVNGRZQSIBL-UHFFFAOYSA-N 1 1 474.949 3.491 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164803001 721544581 /nfs/dbraw/zinc/54/45/81/721544581.db2.gz HDHDMIPQDPFCAS-RCCFBDPRSA-N 1 1 453.877 3.451 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164803001 721544588 /nfs/dbraw/zinc/54/45/88/721544588.db2.gz HDHDMIPQDPFCAS-RCCFBDPRSA-N 1 1 453.877 3.451 20 5 JGBDMO CCOC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164912812 721733346 /nfs/dbraw/zinc/73/33/46/721733346.db2.gz QLIFLBGVDHSVNG-OAQYLSRUSA-N 1 1 461.469 3.299 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958813 722053159 /nfs/dbraw/zinc/05/31/59/722053159.db2.gz GUAQWVKVJQGCCO-UHFFFAOYSA-N 1 1 489.960 3.334 20 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483.617 3.470 20 5 JGBDMO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC001301721303 1066626397 /nfs/dbraw/zinc/62/63/97/1066626397.db2.gz KGPWAVZWTUGFLU-PZJWPPBQSA-N 1 1 483.617 3.278 20 5 JGBDMO CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC001302245675 1066775837 /nfs/dbraw/zinc/77/58/37/1066775837.db2.gz RQBLGIBSDWMIBV-INIZCTEOSA-N 1 1 457.552 3.123 20 5 JGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001301878147 1066881293 /nfs/dbraw/zinc/88/12/93/1066881293.db2.gz BLXRWDRMSAMMTD-NEWSRXKRSA-N 1 1 456.568 3.288 20 5 JGBDMO COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301885270 1066894162 /nfs/dbraw/zinc/89/41/62/1066894162.db2.gz HUMMLRORKJIASC-FQEVSTJZSA-N 1 1 485.633 3.132 20 5 JGBDMO COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001301886298 1066896826 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C[C@@H](N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CC=CCC2)CC1)C(F)(F)F ZINC001303788134 1068369612 /nfs/dbraw/zinc/36/96/12/1068369612.db2.gz GGJRVRHNELWOLN-QGZVFWFLSA-N 1 1 479.507 3.188 20 5 JGBDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001305608271 1068878835 /nfs/dbraw/zinc/87/88/35/1068878835.db2.gz QIUYLDLBPOCNGN-WIYYLYMNSA-N 1 1 469.590 3.175 20 5 JGBDMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305762551 1069231517 /nfs/dbraw/zinc/23/15/17/1069231517.db2.gz UAOBDRLTPUNCAB-NRFANRHFSA-N 1 1 469.590 3.152 20 5 JGBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164629035 719114353 /nfs/dbraw/zinc/11/43/53/719114353.db2.gz QGLYHSXFWDZJCG-PZJWPPBQSA-N 1 1 496.564 3.300 20 5 JGBDMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164835367 720554591 /nfs/dbraw/zinc/55/45/91/720554591.db2.gz GYXBYDPQUGXERW-SOUVJXGZSA-N 1 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1 1 454.918 3.455 20 5 JGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164982258 722101460 /nfs/dbraw/zinc/10/14/60/722101460.db2.gz NCXGTOKVZLOWGN-CRAIPNDOSA-N 1 1 453.877 3.310 20 5 JGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164986221 722106928 /nfs/dbraw/zinc/10/69/28/722106928.db2.gz YKCRCPUJOBMMQQ-WBVHZDCISA-N 1 1 453.877 3.310 20 5 JGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971070 722156879 /nfs/dbraw/zinc/15/68/79/722156879.db2.gz AIBQTPGLVFMMQB-UZLBHIALSA-N 1 1 454.918 3.314 20 5 JGBDMO Cc1ccc(Sc2ccc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)cc2[N+](=O)[O-])cc1 ZINC001305854627 1069409229 /nfs/dbraw/zinc/40/92/29/1069409229.db2.gz GJKYSISMPWBJHH-FDDCHVKYSA-N 1 1 457.552 3.010 20 5 JGBDMO Cc1ccc(Sc2ccc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)cc2[N+](=O)[O-])cc1 ZINC001305854627 1069409237 /nfs/dbraw/zinc/40/92/37/1069409237.db2.gz GJKYSISMPWBJHH-FDDCHVKYSA-N 1 1 457.552 3.010 20 5 JGBDMO C[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C1CCCC1 ZINC001298698530 1064502047 /nfs/dbraw/zinc/50/20/47/1064502047.db2.gz RQRWZFLYKVHCOR-SFHVURJKSA-N 1 1 468.480 3.495 20 5 JGBDMO CO[C@@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001299750279 1064950039 /nfs/dbraw/zinc/95/00/39/1064950039.db2.gz NFBTXVZIPHZYLY-URXFXBBRSA-N 1 1 472.590 3.096 20 5 JGBDMO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC001301721301 1066626343 /nfs/dbraw/zinc/62/63/43/1066626343.db2.gz KGPWAVZWTUGFLU-FPOVZHCZSA-N 1 1 483.617 3.278 20 5 JGBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccncc2Cl)C[C@H]1C ZINC001301885231 1066894220 /nfs/dbraw/zinc/89/42/20/1066894220.db2.gz GWZNLERYMRUYOB-MRXNPFEDSA-N 1 1 471.949 3.107 20 5 JGBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCSC2)C[C@H]1C ZINC001301886306 1066896733 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JGBDMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001299005482 1064787947 /nfs/dbraw/zinc/78/79/47/1064787947.db2.gz JBGYSTJIBMRCFH-UQBPGWFLSA-N 1 1 483.617 3.470 20 5 JGBDMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299008330 1064792605 /nfs/dbraw/zinc/79/26/05/1064792605.db2.gz YRFRYUUESGARJU-HHJKRLRDSA-N 1 1 483.617 3.184 20 5 JGBDMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001299071416 1064871264 /nfs/dbraw/zinc/87/12/64/1064871264.db2.gz DYDBXDQIRDDZBU-TZIWHRDSSA-N 1 1 483.617 3.470 20 5 JGBDMO COCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301439878 1066245435 /nfs/dbraw/zinc/24/54/35/1066245435.db2.gz HRSCSHOUNFLIMA-DEOSSOPVSA-N 1 1 472.590 3.096 20 5 JGBDMO Cc1ccccc1[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001301956780 1066261624 /nfs/dbraw/zinc/26/16/24/1066261624.db2.gz ZGMPVLRBCWULNE-KRWDZBQOSA-N 1 1 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1067781047 /nfs/dbraw/zinc/78/10/47/1067781047.db2.gz IEPYJKCDJQFTFD-IBGZPJMESA-N 1 1 480.573 3.047 20 5 JGBDMO CC(C)[N@@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001303261781 1067789013 /nfs/dbraw/zinc/78/90/13/1067789013.db2.gz WKMGNPSQZZAVIH-LJQANCHMSA-N 1 1 466.590 3.386 20 5 JGBDMO Cc1nn(C)c(C)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001304724267 1067795678 /nfs/dbraw/zinc/79/56/78/1067795678.db2.gz SSVOXRABUPDJRL-UHFFFAOYSA-N 1 1 452.563 3.172 20 5 JGBDMO CC(C)[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001303270375 1067799183 /nfs/dbraw/zinc/79/91/83/1067799183.db2.gz JFMIPVNJSNCVIQ-INIZCTEOSA-N 1 1 469.512 3.266 20 5 JGBDMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001303303169 1067828798 /nfs/dbraw/zinc/82/87/98/1067828798.db2.gz DERDRGADYIKRSY-IBGZPJMESA-N 1 1 464.574 3.443 20 5 JGBDMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001305048444 1068107856 /nfs/dbraw/zinc/10/78/56/1068107856.db2.gz GECPHBWUAYXWNT-OAQYLSRUSA-N 1 1 499.660 3.380 20 5 JGBDMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001305058516 1068121285 /nfs/dbraw/zinc/12/12/85/1068121285.db2.gz HJEPYTNHLDCARL-SJORKVTESA-N 1 1 481.523 3.410 20 5 JGBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303694802 1068237079 /nfs/dbraw/zinc/23/70/79/1068237079.db2.gz FOZZEYYYYWGJCZ-MHECFPHRSA-N 1 1 472.590 3.215 20 5 JGBDMO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303694803 1068237136 /nfs/dbraw/zinc/23/71/36/1068237136.db2.gz FOZZEYYYYWGJCZ-UUOWRZLLSA-N 1 1 472.590 3.215 20 5 JGBDMO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303695367 1068238363 /nfs/dbraw/zinc/23/83/63/1068238363.db2.gz IMZOWUKYLQIMJB-NVXWUHKLSA-N 1 1 468.480 3.353 20 5 JGBDMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305233913 1068381126 /nfs/dbraw/zinc/38/11/26/1068381126.db2.gz HRSASBKXPLMBMH-INIZCTEOSA-N 1 1 471.949 3.259 20 5 JGBDMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305233913 1068381134 /nfs/dbraw/zinc/38/11/34/1068381134.db2.gz HRSASBKXPLMBMH-INIZCTEOSA-N 1 1 471.949 3.259 20 5 JGBDMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)C2)cc[nH+]1 ZINC001164665364 719356435 /nfs/dbraw/zinc/35/64/35/719356435.db2.gz VIRYUHPLSMIEIB-HXUWFJFHSA-N 1 1 497.934 3.168 20 5 JGBDMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663726 719356665 /nfs/dbraw/zinc/35/66/65/719356665.db2.gz GXZMVPQAZSYPPO-HXUWFJFHSA-N 1 1 497.934 3.168 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164814875 720078193 /nfs/dbraw/zinc/07/81/93/720078193.db2.gz XPRAOCROYKDEHL-VFNWGFHPSA-N 1 1 452.939 3.005 20 5 JGBDMO CCc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164814561 720240110 /nfs/dbraw/zinc/24/01/10/720240110.db2.gz YPXCEPHLFFMHGL-UHFFFAOYSA-N 1 1 477.569 3.421 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838912 720515269 /nfs/dbraw/zinc/51/52/69/720515269.db2.gz RXCFJXYSWQDMQX-QLFBSQMISA-N 1 1 451.984 3.334 20 5 JGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738817 720826339 /nfs/dbraw/zinc/82/63/39/720826339.db2.gz GVIQYNQVNCFGSO-SQWLQELKSA-N 1 1 452.346 3.268 20 5 JGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)ccc1F ZINC001164753575 720854563 /nfs/dbraw/zinc/85/45/63/720854563.db2.gz YDVYKTAHZQSFIY-XQBPLPMBSA-N 1 1 478.532 3.162 20 5 JGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755250 720877707 /nfs/dbraw/zinc/87/77/07/720877707.db2.gz VJDPKDIHGZWNPA-CVDCTZTESA-N 1 1 472.977 3.497 20 5 JGBDMO COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164755098 720884692 /nfs/dbraw/zinc/88/46/92/720884692.db2.gz KRODAMDHAZQOAW-HYBUGGRVSA-N 1 1 453.543 3.149 20 5 JGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)ccc1F ZINC001164880685 721172961 /nfs/dbraw/zinc/17/29/61/721172961.db2.gz XAAMRHCLFUSYTQ-RTBURBONSA-N 1 1 450.474 3.066 20 5 JGBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC2)C1 ZINC001164873545 721273572 /nfs/dbraw/zinc/27/35/72/721273572.db2.gz OFFNSOBSWWWENG-UHFFFAOYSA-N 1 1 468.001 3.443 20 5 JGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC001164784265 721373855 /nfs/dbraw/zinc/37/38/55/721373855.db2.gz RCCWLZVBPFXICF-QHCPKHFHSA-N 1 1 452.515 3.262 20 5 JGBDMO Cc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)cc1[N+](=O)[O-] ZINC001164898633 721426330 /nfs/dbraw/zinc/42/63/30/721426330.db2.gz WGKXKKQVIRLWOC-BWKNWUBXSA-N 1 1 466.586 3.126 20 5 JGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])CC2 ZINC001164788582 721450232 /nfs/dbraw/zinc/45/02/32/721450232.db2.gz RMJSORUZEGTBPI-KRWDZBQOSA-N 1 1 453.971 3.081 20 5 JGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164788658 721454031 /nfs/dbraw/zinc/45/40/31/721454031.db2.gz SDDGCABFXSOFSP-HXUWFJFHSA-N 1 1 455.559 3.272 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901609 721515554 /nfs/dbraw/zinc/51/55/54/721515554.db2.gz XPITTYKZIIYCEL-ZBFHGGJFSA-N 1 1 464.881 3.301 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164799929 721531773 /nfs/dbraw/zinc/53/17/73/721531773.db2.gz CDWOCIQSJLGGJA-FUHIMQAGSA-N 1 1 475.933 3.083 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164799929 721531775 /nfs/dbraw/zinc/53/17/75/721531775.db2.gz CDWOCIQSJLGGJA-FUHIMQAGSA-N 1 1 475.933 3.083 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164799928 721532317 /nfs/dbraw/zinc/53/23/17/721532317.db2.gz CDWOCIQSJLGGJA-ABSDTBQOSA-N 1 1 475.933 3.083 20 5 JGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164799928 721532318 /nfs/dbraw/zinc/53/23/18/721532318.db2.gz CDWOCIQSJLGGJA-ABSDTBQOSA-N 1 1 475.933 3.083 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164810690 721533050 /nfs/dbraw/zinc/53/30/50/721533050.db2.gz XYDCNPUKICDPII-DZKIICNBSA-N 1 1 450.952 3.023 20 5 JGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164810690 721533054 /nfs/dbraw/zinc/53/30/54/721533054.db2.gz XYDCNPUKICDPII-DZKIICNBSA-N 1 1 450.952 3.023 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164808410 721542349 /nfs/dbraw/zinc/54/23/49/721542349.db2.gz RXOCWNKPTOYZOT-IOMROCGXSA-N 1 1 454.918 3.455 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164808410 721542351 /nfs/dbraw/zinc/54/23/51/721542351.db2.gz RXOCWNKPTOYZOT-IOMROCGXSA-N 1 1 454.918 3.455 20 5 JGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164808411 721542617 /nfs/dbraw/zinc/54/26/17/721542617.db2.gz RXOCWNKPTOYZOT-UIFIKXQLSA-N 1 1 454.918 3.455 20 5 JGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164808411 721542620 /nfs/dbraw/zinc/54/26/20/721542620.db2.gz RXOCWNKPTOYZOT-UIFIKXQLSA-N 1 1 454.918 3.455 20 5 JGBDMO COC(=O)c1nc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164907873 721748637 /nfs/dbraw/zinc/74/86/37/721748637.db2.gz BYZYPJBJSUXJQF-UHFFFAOYSA-N 1 1 472.889 3.008 20 5 JGBDMO COC(=O)c1nc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164907873 721748645 /nfs/dbraw/zinc/74/86/45/721748645.db2.gz BYZYPJBJSUXJQF-UHFFFAOYSA-N 1 1 472.889 3.008 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1[N+](=O)[O-] ZINC001165023442 721838128 /nfs/dbraw/zinc/83/81/28/721838128.db2.gz XLDPQQBYWJKSIX-UHFFFAOYSA-N 1 1 493.948 3.333 20 5 JGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-] ZINC001164954104 722013545 /nfs/dbraw/zinc/01/35/45/722013545.db2.gz IHMLMUGPFFIXQC-UHFFFAOYSA-N 1 1 460.922 3.102 20 5 JGBDMO